← Browse datasets

Dataset #446

[Cl:1][C:2]1[N:3]([C@@H:16]2[O:22][C@H:21]([CH2:23][OH:24])[C@@H:19]([OH:20])[C@H:17]2[OH:18])[C:4]2[C:9]([C:10]=1[C:11](=[O:13])[CH3:12])=[CH:8][C:7]([Cl:14])=[C:6]([Cl:15])[CH:5]=2
Reaction #1951031
Yield 81.3%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:3]([C@@H:17]2[O:23][C@H:22]([CH2:24][OH:25])[C@@H:20]([OH:21])[C@H:18]2[OH:19])[C:4]2[C:9]([C:10]=1[C:11](=[O:14])[CH2:12][CH3:13])=[CH:8][C:7]([Cl:15])=[C:6]([Cl:16])[CH:5]=2
Reaction #1951032
Yield 198.1%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:3]([C@@H:19]2[O:25][C@H:24]([CH2:26][OH:27])[C@@H:22]([OH:23])[C@H:20]2[OH:21])[C:4]2[C:9]([C:10]=1[C:11](=[O:16])[C:12]([F:13])([F:14])[F:15])=[CH:8][C:7]([Cl:17])=[C:6]([Cl:18])[CH:5]=2
Reaction #1951033
Yield 56.3%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:3]([C@@H:18]2[O:32][C@H:31]([CH2:33][OH:34])[C@@H:20]([OH:21])[CH2:19]2)[C:4]2[C:9]([C:10]=1[C:11]1[O:12][CH:13]=[CH:14][CH:15]=1)=[CH:8][C:7]([Cl:16])=[C:6]([Cl:17])[CH:5]=2
Reaction #1951034
Yield 75.6%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:12][C:9]1[CH:10]=[C:11]2[C:6](=[CH:7][C:8]=1[Cl:13])[N:5]([C@@H:14]1[O:28][C@H:27]([CH2:16][OH:17])[C@@H:29]([OH:30])[CH2:15]1)[C:4]([O:42][CH3:41])=[C:3]2[CH:1]=[O:2]
Reaction #1951035
Yield 69.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:3]([C@@H:16]2[O:30][C@H:29]([CH2:31][OH:32])[C@@H:18]([OH:19])[CH2:17]2)[C:4]2[C:9]([C:10]=1[C:11](=[O:13])[CH3:12])=[CH:8][C:7]([Cl:14])=[C:6]([Cl:15])[CH:5]=2
Reaction #1951036
Yield 74.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[Cl:11])[N:7]([C@@H:12]1[O:18][C@H:17]([CH2:19][OH:20])[C@@H:15]([OH:16])[C@H:13]1[OH:14])[C:6]([Br:24])=[C:5]2[CH:25]=[O:26]
Reaction #1951037
Yield 47.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:4][OH:1]
Reaction #1951038
Yield 41.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[Cl:11])[N:7]([C@@H:12]1[O:26][C@H:25]([CH2:27][OH:28])[C@@H:14]([OH:15])[CH2:13]1)[C:6]([Br:38])=[C:5]2[C:39](=[O:41])[CH3:40]
Reaction #1951039
Yield 68.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:15]([C@:9]1([CH2:10][OH:11])[O:8][C@@H:7]([N:17]2[C:26]3[N:25]=[C:24]([F:27])[N:23]=[C:21]([NH2:22])[C:20]=3[N:19]=[CH:18]2)[CH2:6][C@@H:5]1[OH:4])#[CH:16]
Reaction #1951040
DOI: 10.6084/m9.figshare.5104873.v1
[C:15]([C@:9]1([CH2:10][OH:11])[O:8][C@@H:7]([N:17]2[C:26]3[N:25]=[C:24]([F:27])[N:23]=[C:21]([NH2:22])[C:20]=3[N:19]=[CH:18]2)[CH2:6][C@@H:5]1[OH:4])#[N:16]
Reaction #1951041
DOI: 10.6084/m9.figshare.5104873.v1
[C:26]([C@:10]1([CH2:9][OH:8])[O:14][C@@H:13]([N:15]2[C:24]3[N:23]=[C:22]([F:25])[N:21]=[C:19]([NH2:20])[C:18]=3[N:17]=[CH:16]2)[CH2:12][CH2:11]1)#[CH:27]
Reaction #1951042
DOI: 10.6084/m9.figshare.5104873.v1
[S:1]([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)([O:17][CH2:12][CH2:13][C:14]([CH3:16])=[CH2:15])(=[O:3])=[O:2]
Reaction #1951043
Yield 85.3%DOI: 10.6084/m9.figshare.5104873.v1
[C:4]([O:3][P:1]([O:8][C:9]([CH3:12])([CH3:11])[CH3:10])([OH:13])=[O:2])([CH3:7])([CH3:6])[CH3:5]
Reaction #1951044
DOI: 10.6084/m9.figshare.5104873.v1
[N:4]1[CH:5]=[CH:6][CH:7]=[C:2]([C:1]([O:9][CH2:55][Cl:54])=[O:8])[CH:3]=1
Reaction #1951045
Yield 25.5%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:6][C:5]1[CH:7]=[CH:8][N:1]([CH:26]2[C:27]([O:28][C:29](=[O:36])[C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)([CH3:59])[CH:37]([O:38][C:39](=[O:46])[C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=3)[CH:47]([CH2:49][O:50][C:51](=[O:58])[C:52]3[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=3)[O:48]2)[C:2](=[O:3])[N:4]=1
Reaction #1951046
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[CH:7]=[CH:6][N:5]([CH:8]2[C:12]([OH:14])([CH3:13])[CH:11]([OH:23])[CH:10]([CH2:32][OH:33])[O:9]2)[C:4](=[O:42])[N:3]=1
Reaction #1951047
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([SiH2:5][O:6][C:7]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)([C:34]1[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1)[CH:8]1[CH:9]([O:27][C:52](=[O:53])[CH:48]([NH:47][C:40]([O:42][C:43]([CH3:44])([CH3:46])[CH3:45])=[O:41])[CH:49]([CH3:51])[CH3:50])[C:10]([OH:26])([CH3:25])[CH:11]([N:13]2[CH:18]=[CH:17][C:16]([N:19]=[CH:20][N:21]([CH3:22])[CH3:23])=[N:15][C:14]2=[O:24])[O:12]1)([CH3:2])([CH3:3])[CH3:4]
Reaction #1951048
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([SiH2:5][O:6][C:7]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)([C:34]1[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1)[CH:8]1[CH:9]([O:27][C:52](=[O:53])[CH:48]([NH:47][C:40]([O:42][C:43]([CH3:44])([CH3:46])[CH3:45])=[O:41])[CH:49]([CH3:51])[CH3:50])[C:10]([OH:26])([CH3:25])[CH:11]([N:13]2[CH:18]=[CH:17][C:16]([N:19]=[CH:20][N:21]([CH3:22])[CH3:23])=[N:15][C:14]2=[O:24])[O:12]1)([CH3:2])([CH3:3])[CH3:4]
Reaction #1951049
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:36][C:33]1[CH:34]=[CH:35][N:30]([CH:10]2[O:9][CH:8]([CH2:7][OH:6])[CH:12]([O:13][C:14](=[O:27])[CH:15]([NH:19][C:20]([O:22][C:23]([CH3:25])([CH3:24])[CH3:26])=[O:21])[CH:16]([CH3:18])[CH3:17])[C:11]2([OH:29])[CH3:28])[C:31](=[O:41])[N:32]=1
Reaction #1951050
DOI: 10.6084/m9.figshare.5104873.v1
PreviousPage 2Next