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Dataset #196

[OH:12][CH2:11][CH2:10][S:8][C:5]1[CH:6]=[CH:7][C:2]([OH:1])=[CH:3][CH:4]=1
Reaction #955900
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]1[O:5][C@@H:4]2[C@@H:6]([OH:9])[CH2:7][O:8][C@@H:3]2[C@@H:2]1[OH:10]
Reaction #955901
Yield 16.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]1[O:5][C@@H:4]2[C@@H:6]([OH:9])[CH2:7][O:8][C@@H:3]2[C@@H:2]1[OH:10]
Reaction #955902
Yield 94.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]1[O:5][C@@H:4]2[C@@H:6]([OH:9])[CH2:7][O:8][C@@H:3]2[C@@H:2]1[OH:10]
Reaction #955903
Yield 98.5%DOI: 10.6084/m9.figshare.5104873.v1
[OH:5][CH:6]([O:24][C:25]1[CH:30]=[C:29]([N+:1]([O-:4])=[O:2])[CH:28]=[C:27]([O:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])[C:26]=1[O:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23]
Reaction #955904
Yield 76.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:68]([O:1][CH:2]([O:20][C:21]1[CH:22]=[C:23]([N+:65]([O-:67])=[O:66])[CH:24]=[C:25]([O:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64])[C:26]=1[O:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])(=[O:69])[CH:70]=[CH2:71]
Reaction #955905
Yield 92.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:4]([O:8][CH:9]([O:27][C:28]1[CH:29]=[C:30]([CH:31]=[C:32]([O:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71])[C:33]=1[O:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52])[NH2:72])[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])(=[O:7])[CH:5]=[CH2:6]
Reaction #955906
Yield 71.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]([OH:14])([CH:9]([OH:13])[C:10]([OH:12])=[O:11])[CH:2]([OH:8])[CH:3]([OH:7])[C:4]([OH:6])=[O:5]
Reaction #955907
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[CH:6]=[CH:5][C:4]=1[C:10]1[NH:14][N:13]=[C:12]([S:15][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][N:20]=2)[N:11]=1
Reaction #955908
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:11]=[C:10]([CH3:12])[CH:9]=[CH:8][C:4]=1[C:5]1[NH:28][C:26](=[S:27])[NH:25][N:24]=1
Reaction #955909
Yield 47.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH3:9])[CH:6]=[CH:5][C:4]=1[C:10]1[NH:14][N:13]=[C:12]([S:15][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([CH3:24])=[CH:20][N:19]=2)[N:11]=1
Reaction #955910
Yield 14.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[C:9]1[NH:13][N:12]=[C:11]([S:14][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=2)[N:10]=1
Reaction #955911
Yield 64.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:6][C:7]1[CH:15]=[C:14]([CH3:16])[CH:13]=[CH:12][C:8]=1[C:9]1[NH:5][C:3](=[S:4])[NH:2][N:1]=1
Reaction #955912
Yield 43.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([C:9]2[NH:13][N:12]=[C:11]([S:14][CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=3)[N:10]=2)=[CH:7][CH:8]=1)[CH3:2]
Reaction #955913
Yield 71.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:3]=[C:4]([C:8]2[NH:12][N:11]=[C:10]([S:13][CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=3)[N:9]=2)[O:5][C:6]=1[CH3:7]
Reaction #955914
Yield 27.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:9][C:4]1[CH:3]=[C:2]([C:10]2[NH:14][N:13]=[C:12]([S:15][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][N:20]=3)[N:11]=2)[O:1][C:5]=1[CH3:6]
Reaction #955915
Yield 59.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[O:3][C:4]([CH3:13])=[CH:5][C:6]=1[C:7]1[NH:11][N:10]=[C:9]([S:12][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=2)[N:8]=1
Reaction #955916
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:3]=[C:4]([C:8]2[NH:12][N:11]=[C:10]([S:13][CH2:16][CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=3)[N:9]=2)[O:5][C:6]=1[CH3:7]
Reaction #955917
Yield 55.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br-:10]
Reaction #955918
Yield 73.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:15]=[C:14]([O:16][CH3:17])[CH:13]=[CH:12][C:4]=1[CH2:5][C:6]1[NH:10][N:9]=[C:8]([S:11][CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=2)[N:7]=1
Reaction #955919
Yield 34.0%DOI: 10.6084/m9.figshare.5104873.v1
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