← Parcourir les jeux de données![[Cl:1][C:2]1[N:3]=[CH:4][CH:5]=[C:6]2[C:7]=1[NH:8][CH:12]=[CH:11]2](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BN%3A3%5D%3D%5BCH%3A4%5D%5BCH%3A5%5D%3D%5BC%3A6%5D2%5BC%3A7%5D%3D1%5BNH%3A8%5D%5BCH%3A12%5D%3D%5BCH%3A11%5D2&w=100&h=80)
![[CH3:16][O:17][C:18]1[CH:26]=[N:25][C:24]([O:27][CH3:28])=[C:23]2[C:19]=1[C:20]([C:29](=[O:35])[C:30]([O-:32])=[O:31])=[CH:21][NH:22]2](/api/mol/svg?smiles=%5BCH3%3A16%5D%5BO%3A17%5D%5BC%3A18%5D1%5BCH%3A26%5D%3D%5BN%3A25%5D%5BC%3A24%5D(%5BO%3A27%5D%5BCH3%3A28%5D)%3D%5BC%3A23%5D2%5BC%3A19%5D%3D1%5BC%3A20%5D(%5BC%3A29%5D(%3D%5BO%3A35%5D)%5BC%3A30%5D(%5BO-%3A32%5D)%3D%5BO%3A31%5D)%3D%5BCH%3A21%5D%5BNH%3A22%5D2&w=100&h=80)
[C:10]([C:3]2[C:4]3[C:9](=[N:8][CH:7]=[CH:6][CH:5]=3)[NH:1][CH:2]=2)=[O:14])[C@H:17]([CH3:16])[CH2:18]1)(=[O:30])[C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1](/api/mol/svg?smiles=%5BC%3A23%5D(%5BN%3A19%5D1%5BCH2%3A20%5D%5BCH2%3A21%5D%5BN%3A22%5D(%5BC%3A11%5D(%3D%5BO%3A13%5D)%5BC%3A10%5D(%5BC%3A3%5D2%5BC%3A4%5D3%5BC%3A9%5D(%3D%5BN%3A8%5D%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BCH%3A5%5D%3D3)%5BNH%3A1%5D%5BCH%3A2%5D%3D2)%3D%5BO%3A14%5D)%5BC%40H%3A17%5D(%5BCH3%3A16%5D)%5BCH2%3A18%5D1)(%3D%5BO%3A30%5D)%5BC%3A24%5D1%5BCH%3A25%5D%3D%5BCH%3A26%5D%5BCH%3A27%5D%3D%5BCH%3A28%5D%5BCH%3A29%5D%3D1&w=100&h=80)
![[NH:51]1[C:52]2[C:57](=[CH:56][CH:55]=[CH:54][N:53]=2)[C:49]([C:47](=[O:48])[C:46]([O-:58])=[O:8])=[CH:50]1](/api/mol/svg?smiles=%5BNH%3A51%5D1%5BC%3A52%5D2%5BC%3A57%5D(%3D%5BCH%3A56%5D%5BCH%3A55%5D%3D%5BCH%3A54%5D%5BN%3A53%5D%3D2)%5BC%3A49%5D(%5BC%3A47%5D(%3D%5BO%3A48%5D)%5BC%3A46%5D(%5BO-%3A58%5D)%3D%5BO%3A8%5D)%3D%5BCH%3A50%5D1&w=100&h=80)
([O:3][C:4]([CH3:6])([CH3:7])[CH3:5])([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:2]](/api/mol/svg?smiles=%5BP%3A1%5D(%5BO%3A13%5D%5BCH2%3A15%5D%5BCl%3A14%5D)(%5BO%3A3%5D%5BC%3A4%5D(%5BCH3%3A6%5D)(%5BCH3%3A7%5D)%5BCH3%3A5%5D)(%5BO%3A8%5D%5BC%3A9%5D(%5BCH3%3A12%5D)(%5BCH3%3A11%5D)%5BCH3%3A10%5D)%3D%5BO%3A2%5D&w=100&h=80)
([O:3][C:4]([CH3:6])([CH3:7])[CH3:5])([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:2]](/api/mol/svg?smiles=%5BP%3A1%5D(%5BO%3A13%5D%5BCH2%3A15%5D%5BCl%3A14%5D)(%5BO%3A3%5D%5BC%3A4%5D(%5BCH3%3A6%5D)(%5BCH3%3A7%5D)%5BCH3%3A5%5D)(%5BO%3A8%5D%5BC%3A9%5D(%5BCH3%3A12%5D)(%5BCH3%3A11%5D)%5BCH3%3A10%5D)%3D%5BO%3A2%5D&w=100&h=80)
([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])=[O:7]](/api/mol/svg?smiles=%5BP%3A6%5D(%5BO%3A13%5D%5BCH2%3A32%5D%5BCl%3A31%5D)(%5BO%3A5%5D%5BC%3A1%5D(%5BCH3%3A4%5D)(%5BCH3%3A3%5D)%5BCH3%3A2%5D)(%5BO%3A8%5D%5BC%3A9%5D(%5BCH3%3A12%5D)(%5BCH3%3A11%5D)%5BCH3%3A10%5D)%3D%5BO%3A7%5D&w=100&h=80)
([O:13][CH2:14][N:15]1[C:19]2=[C:20]([N:26]3[CH:30]=[N:29][C:28]([CH3:31])=[N:27]3)[N:21]=[CH:22][C:23]([O:24][CH3:25])=[C:18]2[C:17]([C:32](=[O:50])[C:33]([N:35]2[CH2:36][CH2:37][C:38](=[C:41]([C:48]#[N:49])[C:42]3[CH:47]=[CH:46][CH:45]=[CH:44][N:43]=3)[CH2:39][CH2:40]2)=[O:34])=[CH:16]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2]](/api/mol/svg?smiles=%5BP%3A1%5D(%5BOH%3A8%5D)(%5BO%3A13%5D%5BCH2%3A14%5D%5BN%3A15%5D1%5BC%3A19%5D2%3D%5BC%3A20%5D(%5BN%3A26%5D3%5BCH%3A30%5D%3D%5BN%3A29%5D%5BC%3A28%5D(%5BCH3%3A31%5D)%3D%5BN%3A27%5D3)%5BN%3A21%5D%3D%5BCH%3A22%5D%5BC%3A23%5D(%5BO%3A24%5D%5BCH3%3A25%5D)%3D%5BC%3A18%5D2%5BC%3A17%5D(%5BC%3A32%5D(%3D%5BO%3A50%5D)%5BC%3A33%5D(%5BN%3A35%5D2%5BCH2%3A36%5D%5BCH2%3A37%5D%5BC%3A38%5D(%3D%5BC%3A41%5D(%5BC%3A48%5D%23%5BN%3A49%5D)%5BC%3A42%5D3%5BCH%3A47%5D%3D%5BCH%3A46%5D%5BCH%3A45%5D%3D%5BCH%3A44%5D%5BN%3A43%5D%3D3)%5BCH2%3A39%5D%5BCH2%3A40%5D2)%3D%5BO%3A34%5D)%3D%5BCH%3A16%5D1)(%5BO%3A3%5D%5BC%3A4%5D(%5BCH3%3A7%5D)(%5BCH3%3A6%5D)%5BCH3%3A5%5D)%3D%5BO%3A2%5D&w=100&h=80)
![[OH:11][CH2:10][CH2:9][CH2:8][NH:7][C:2]([CH3:6])([CH3:1])[C:3]#[N:4]](/api/mol/svg?smiles=%5BOH%3A11%5D%5BCH2%3A10%5D%5BCH2%3A9%5D%5BCH2%3A8%5D%5BNH%3A7%5D%5BC%3A2%5D(%5BCH3%3A6%5D)(%5BCH3%3A1%5D)%5BC%3A3%5D%23%5BN%3A4%5D&w=100&h=80)
![[CH3:1][C:2]1([CH3:25])[C:6](=[O:28])[N:5]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[C:10]([C:16]([F:18])([F:19])[F:17])[CH:9]=2)[C:4](=[S:20])[N:3]1[CH2:21][CH2:22][CH2:23][OH:24]](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A25%5D)%5BC%3A6%5D(%3D%5BO%3A28%5D)%5BN%3A5%5D(%5BC%3A8%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A11%5D(%5BC%3A12%5D%23%5BN%3A13%5D)%3D%5BC%3A10%5D(%5BC%3A16%5D(%5BF%3A18%5D)(%5BF%3A19%5D)%5BF%3A17%5D)%5BCH%3A9%5D%3D2)%5BC%3A4%5D(%3D%5BS%3A20%5D)%5BN%3A3%5D1%5BCH2%3A21%5D%5BCH2%3A22%5D%5BCH2%3A23%5D%5BOH%3A24%5D&w=100&h=80)
=[C:6]([C:8]([F:9])([F:10])[F:11])[CH:7]=1)=[C:14]=[O:15]](/api/mol/svg?smiles=%5BN%3A1%5D(%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BC%3A12%5D%23%5BN%3A13%5D)%3D%5BC%3A6%5D(%5BC%3A8%5D(%5BF%3A9%5D)(%5BF%3A10%5D)%5BF%3A11%5D)%5BCH%3A7%5D%3D1)%3D%5BC%3A14%5D%3D%5BO%3A15%5D&w=100&h=80)
![[CH3:5][C:2]1([CH3:6])[C:3](=[NH:4])[N:14]([C:17]2[CH:24]=[CH:23][C:20]([C:21]#[N:22])=[C:19]([C:25]([F:26])([F:27])[F:28])[CH:18]=2)[C:15](=[O:16])[NH:1]1](/api/mol/svg?smiles=%5BCH3%3A5%5D%5BC%3A2%5D1(%5BCH3%3A6%5D)%5BC%3A3%5D(%3D%5BNH%3A4%5D)%5BN%3A14%5D(%5BC%3A17%5D2%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BC%3A20%5D(%5BC%3A21%5D%23%5BN%3A22%5D)%3D%5BC%3A19%5D(%5BC%3A25%5D(%5BF%3A26%5D)(%5BF%3A27%5D)%5BF%3A28%5D)%5BCH%3A18%5D%3D2)%5BC%3A15%5D(%3D%5BO%3A16%5D)%5BNH%3A1%5D1&w=100&h=80)
![[CH3:1][C:2]1([CH3:21])[C:6](=[O:23])[N:5]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[C:10]([C:16]([F:19])([F:18])[F:17])[CH:9]=2)[C:4](=[O:20])[NH:3]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A21%5D)%5BC%3A6%5D(%3D%5BO%3A23%5D)%5BN%3A5%5D(%5BC%3A8%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A11%5D(%5BC%3A12%5D%23%5BN%3A13%5D)%3D%5BC%3A10%5D(%5BC%3A16%5D(%5BF%3A19%5D)(%5BF%3A18%5D)%5BF%3A17%5D)%5BCH%3A9%5D%3D2)%5BC%3A4%5D(%3D%5BO%3A20%5D)%5BNH%3A3%5D1&w=100&h=80)
![[CH3:1][C:2]1([CH3:21])[C:6](=[O:7])[N:5]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[C:10]([C:16]([F:19])([F:17])[F:18])[CH:9]=2)[C:4](=[O:20])[N:3]1[CH2:33][CH2:32][CH2:31][O:30][CH:29]1[CH2:34][CH2:26][CH2:27][O:28]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A21%5D)%5BC%3A6%5D(%3D%5BO%3A7%5D)%5BN%3A5%5D(%5BC%3A8%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A11%5D(%5BC%3A12%5D%23%5BN%3A13%5D)%3D%5BC%3A10%5D(%5BC%3A16%5D(%5BF%3A19%5D)(%5BF%3A17%5D)%5BF%3A18%5D)%5BCH%3A9%5D%3D2)%5BC%3A4%5D(%3D%5BO%3A20%5D)%5BN%3A3%5D1%5BCH2%3A33%5D%5BCH2%3A32%5D%5BCH2%3A31%5D%5BO%3A30%5D%5BCH%3A29%5D1%5BCH2%3A34%5D%5BCH2%3A26%5D%5BCH2%3A27%5D%5BO%3A28%5D1&w=100&h=80)
![[OH:24][CH2:23][CH2:22][CH2:21][N:3]1[C:2]([CH3:30])([CH3:1])[C:6](=[O:7])[N:5]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[C:10]([C:16]([F:19])([F:17])[F:18])[CH:9]=2)[C:4]1=[O:20]](/api/mol/svg?smiles=%5BOH%3A24%5D%5BCH2%3A23%5D%5BCH2%3A22%5D%5BCH2%3A21%5D%5BN%3A3%5D1%5BC%3A2%5D(%5BCH3%3A30%5D)(%5BCH3%3A1%5D)%5BC%3A6%5D(%3D%5BO%3A7%5D)%5BN%3A5%5D(%5BC%3A8%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A11%5D(%5BC%3A12%5D%23%5BN%3A13%5D)%3D%5BC%3A10%5D(%5BC%3A16%5D(%5BF%3A19%5D)(%5BF%3A17%5D)%5BF%3A18%5D)%5BCH%3A9%5D%3D2)%5BC%3A4%5D1%3D%5BO%3A20%5D&w=100&h=80)
![[CH3:1][C:2]1([CH3:9])[CH2:7][C:6](=[O:5])[N:10]([C:11]2[CH:12]=[CH:13][C:14]([C:21]#[N:22])=[C:15]([C:17]([F:18])([F:19])[F:20])[CH:16]=2)[C:3]1=[O:4]](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A9%5D)%5BCH2%3A7%5D%5BC%3A6%5D(%3D%5BO%3A5%5D)%5BN%3A10%5D(%5BC%3A11%5D2%5BCH%3A12%5D%3D%5BCH%3A13%5D%5BC%3A14%5D(%5BC%3A21%5D%23%5BN%3A22%5D)%3D%5BC%3A15%5D(%5BC%3A17%5D(%5BF%3A18%5D)(%5BF%3A19%5D)%5BF%3A20%5D)%5BCH%3A16%5D%3D2)%5BC%3A3%5D1%3D%5BO%3A4%5D&w=100&h=80)
![[CH3:1][C:2]1([CH3:25])[C:6]([CH3:10])([CH2:7][CH2:8][Br:46])[C:5](=[O:11])[N:4]([C:12]2[CH:19]=[CH:18][C:15]([C:16]#[N:17])=[C:14]([C:20]([F:23])([F:22])[F:21])[CH:13]=2)[C:3]1=[O:24]](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A25%5D)%5BC%3A6%5D(%5BCH3%3A10%5D)(%5BCH2%3A7%5D%5BCH2%3A8%5D%5BBr%3A46%5D)%5BC%3A5%5D(%3D%5BO%3A11%5D)%5BN%3A4%5D(%5BC%3A12%5D2%5BCH%3A19%5D%3D%5BCH%3A18%5D%5BC%3A15%5D(%5BC%3A16%5D%23%5BN%3A17%5D)%3D%5BC%3A14%5D(%5BC%3A20%5D(%5BF%3A23%5D)(%5BF%3A22%5D)%5BF%3A21%5D)%5BCH%3A13%5D%3D2)%5BC%3A3%5D1%3D%5BO%3A24%5D&w=100&h=80)
([OH:18])[CH2:10][CH2:9]1)[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1](/api/mol/svg?smiles=%5BCH2%3A11%5D(%5BN%3A8%5D1%5BCH2%3A7%5D%5BCH2%3A6%5D%5BC%3A5%5D(%5BCH2%3A4%5D%5BCH2%3A3%5D%5BOH%3A2%5D)(%5BOH%3A18%5D)%5BCH2%3A10%5D%5BCH2%3A9%5D1)%5BC%3A12%5D1%5BCH%3A13%5D%3D%5BCH%3A14%5D%5BCH%3A15%5D%3D%5BCH%3A16%5D%5BCH%3A17%5D%3D1&w=100&h=80)
![[OH:17][CH2:16][CH2:15][C:11]1([OH:14])[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]1](/api/mol/svg?smiles=%5BOH%3A17%5D%5BCH2%3A16%5D%5BCH2%3A15%5D%5BC%3A11%5D1(%5BOH%3A14%5D)%5BCH2%3A12%5D%5BCH2%3A13%5D%5BNH%3A8%5D%5BCH2%3A9%5D%5BCH2%3A10%5D1&w=100&h=80)
![[OH:10][C:4]1([CH2:3][CH2:2][OH:1])[CH2:9][CH2:8][N:7]([C:19]2[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[C:21]([C:27]([F:28])([F:30])[F:29])[CH:20]=2)[CH2:6][CH2:5]1](/api/mol/svg?smiles=%5BOH%3A10%5D%5BC%3A4%5D1(%5BCH2%3A3%5D%5BCH2%3A2%5D%5BOH%3A1%5D)%5BCH2%3A9%5D%5BCH2%3A8%5D%5BN%3A7%5D(%5BC%3A19%5D2%5BCH%3A26%5D%3D%5BCH%3A25%5D%5BC%3A22%5D(%5BC%3A23%5D%23%5BN%3A24%5D)%3D%5BC%3A21%5D(%5BC%3A27%5D(%5BF%3A28%5D)(%5BF%3A30%5D)%5BF%3A29%5D)%5BCH%3A20%5D%3D2)%5BCH2%3A6%5D%5BCH2%3A5%5D1&w=100&h=80)
Dataset #459
Réaction #2006468
Rendement 31.0%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006469
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006470
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006471
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006472
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006473
Rendement 343.6%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006474
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006475
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006476
Rendement 71.0%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006477
Rendement 68.0%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006478
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006479
Rendement 47.3%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006480
Rendement 95.0%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006481
Rendement 75.7%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006482
Rendement 95.0%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006483
DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006484
Rendement 40.0%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006485
Rendement 92.4%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006486
Rendement 102.7%DOI: 10.6084/m9.figshare.5104873.v1
Réaction #2006487
Rendement 68.0%DOI: 10.6084/m9.figshare.5104873.v1