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Dataset #478

[CH3:17][C:18]1[CH:23]=[CH:22][C:21]([CH3:24])=[CH:20][C:19]=1[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([CH2:15][C:4]3[CH:5]=[C:6]([CH3:9])[CH:7]=[CH:8][C:3]=3[CH3:2])=[CH:11][CH:10]=2)=[CH:5][CH:4]=1
Reaction #2122466
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:23][C:17]1[CH:22]=[CH:21][C:20]([CH2:2][C:3]2[CH:8]=[CH:7][C:6]([C:9]3[CH:14]=[CH:13][C:12]([CH2:15][C:6]4[CH:7]=[CH:8][C:3]([CH3:2])=[CH:4][CH:5]=4)=[CH:11][CH:10]=3)=[CH:5][CH:4]=2)=[CH:19][CH:18]=1
Reaction #2122467
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]([CH3:3])[C:14](=[N:13][CH2:7][CH2:8][CH2:9][CH3:10])[CH3:15]
Reaction #2122468
Yield 32.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:11][N:12]([CH3:13])[C:8](=[N:7][CH2:1][CH2:2][CH2:3][CH2:4][CH3:5])[CH3:9]
Reaction #2122469
Yield 38.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:11][N:12]([CH3:13])[C:8](=[N:7][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[CH3:9]
Reaction #2122470
Yield 49.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]([CH3:3])[C:16](=[N:15][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[CH3:17]
Reaction #2122471
Yield 53.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]([CH3:3])[C:16](=[N:15][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH3:17]
Reaction #2122472
Yield 61.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]([CH3:11])[C:3]1[CH:10]=[CH:9][C:6]([CH:7]=[CH:15][N+:12]([O-:14])=[O:13])=[CH:5][CH:4]=1
Reaction #2122473
Yield 41.1%DOI: 10.6084/m9.figshare.5104873.v1
[S:1]([O-:5])([O-:4])(=[O:3])=[O:2]
Reaction #2122474
DOI: 10.6084/m9.figshare.5104873.v1
[S:1]([O-:5])([O-:4])(=[O:3])=[O:2]
Reaction #2122475
DOI: 10.6084/m9.figshare.5104873.v1
[S:1]([O-:5])([O-:4])(=[O:3])=[O:2]
Reaction #2122476
DOI: 10.6084/m9.figshare.5104873.v1
[N:17]1([C@@:16]23[C@H:8]([CH2:7][CH2:6][CH2:5][CH2:4][C:2]([NH2:23])=[O:3])[S:9][CH2:10][C@@H:11]2[NH:12][C:13](=[O:14])[NH:15]3)[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1
Reaction #2122477
Yield 10.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]/[CH:8]=[CH:7]/[C@@H:5]([OH:6])[C@@H:3]([NH:4][C:2]([CH2:3][CH2:5][CH2:7][CH2:8][CH3:9])=[O:1])[CH2:2][OH:1]
Reaction #2122478
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([CH:3]([CH2:25][CH2:26][CH2:27][CH3:28])[CH2:4][C:5]([CH2:17][CH:18]([CH2:23][CH3:24])[CH2:19][CH2:20][CH2:21][CH3:22])([C:14]([O-:16])=[O:15])[CH:6]([S:10]([OH:13])(=[O:11])=[O:12])[C:7]([O-:9])=[O:8])[CH3:2]
Reaction #2122479
DOI: 10.6084/m9.figshare.5104873.v1
[OH:11][C:6]1([C:9]#[N:10])[CH2:5][CH2:4][N:3]([O:2][CH3:1])[CH2:8][CH2:7]1
Reaction #2122480
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:3][C:4]([C:6]1([O:14][C:42](=[O:43])[CH2:41][C:35]2[CH:36]=[C:37]([CH3:40])[CH:38]=[CH:39][C:34]=2[CH3:33])[CH2:7][CH2:8][N:9]([O:12][CH3:13])[CH2:10][CH2:11]1)=[O:5])[CH3:2]
Reaction #2122481
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:52]([O:51][C:49](=[O:50])[O:14][C:13]1[C:12]2([CH2:19][CH2:18][N:17]([O:20][CH3:21])[CH2:16][CH2:15]2)[O:11][C:10](=[O:22])[C:9]=1[C:3]1[CH:4]=[C:5]([CH3:8])[CH:6]=[CH:7][C:2]=1[CH3:1])[CH3:53]
Reaction #2122482
DOI: 10.6084/m9.figshare.5104873.v1
[OH:19][C:18]1[C:20]2([CH2:21][CH2:22][N:23]([O:26][CH3:27])[CH2:24][CH2:25]2)[O:28][C:3](=[O:2])[C:4]=1[C:5]1[CH:10]=[C:9]([CH3:11])[C:8]([CH3:12])=[CH:7][C:6]=1[CH3:13]
Reaction #2122483
DOI: 10.6084/m9.figshare.5104873.v1
[C:10]([C:2]1([O:1][C:40](=[O:41])[CH2:39][C:32]2[C:31]([CH3:30])=[CH:36][C:35]([CH3:37])=[CH:34][C:33]=2[CH3:38])[CH2:3][CH2:4][N:5]([O:8][CH3:9])[CH2:6][CH2:7]1)#[N:11]
Reaction #2122484
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:3][C:4]([C:6]1([O:14][C:43](=[O:44])[CH2:42][C:35]2[C:34]([CH3:33])=[CH:39][C:38]([CH3:40])=[CH:37][C:36]=2[CH3:41])[CH2:7][CH2:8][N:9]([O:12][CH3:13])[CH2:10][CH2:11]1)=[O:5])[CH3:2]
Reaction #2122485
DOI: 10.6084/m9.figshare.5104873.v1
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