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Dataset #197

[NH:1]([C:34]([O:36][CH2:37][C:38]1[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=1)=[O:35])[C@H:2]([C:6]([N:8]1[CH2:33][CH2:32][CH2:31][C@H:9]1[C:10]([NH:12][C@H:13]([C:17]([N:19]1[CH2:30][CH2:29][CH2:28][C@H:20]1[C:21]([OH:23])=[O:22])=[O:18])[CH:14]([CH3:16])[CH3:15])=[O:11])=[O:7])[CH:3]([CH3:4])[CH3:5]
Reaction #969879
Yield 84.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:12][C:11]1([CH3:13])[C:14]([CH3:16])([CH3:15])[O:17][B:9]([C:4]2[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=2[CH:1]=[N:27][NH:26][C:18](=[O:25])[C:19]2[CH:24]=[CH:23][N:22]=[CH:21][CH:20]=2)[O:10]1
Reaction #969880
Yield 67.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:12]([C:14]1[CH:15]=[CH:16][C:17]([CH2:20][CH2:21][O:22][C:23]2[CH:36]=[CH:35][C:26]([CH2:27][C@H:28]3[S:32][C:31](=[O:33])[NH:30][C:29]3=[O:34])=[CH:25][CH:24]=2)=[N:18][CH:19]=1)[CH3:13]
Reaction #969881
Yield 47.0%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:1]
Reaction #969882
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:12]([C:14]1[CH:15]=[CH:16][C:17]([CH2:20][CH2:21][O:22][C:23]2[CH:36]=[CH:35][C:26]([CH2:27][C@H:28]3[S:32][C:31](=[O:33])[NH:30][C:29]3=[O:34])=[CH:25][CH:24]=2)=[N:18][CH:19]=1)[CH3:13]
Reaction #969883
Yield 47.0%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:1]
Reaction #969884
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:52]
Reaction #969885
DOI: 10.6084/m9.figshare.5104873.v1
[C:6]([C@@H:4]([C@H:2]([C:1]([OH:10])=[O:9])[OH:3])[OH:5])([OH:8])=[O:7]
Reaction #969886
DOI: 10.6084/m9.figshare.5104873.v1
[S:7]([C:4]1[CH:5]=[CH:6][C:1]([CH3:11])=[CH:2][CH:3]=1)([OH:10])(=[O:9])=[O:8]
Reaction #969887
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH2:9][CH2:10][O:11][C:12]2[CH:17]=[CH:16][C:15]([CH2:18][C@H:19]3[S:23][C:22](=[O:24])[NH:21][C:20]3=[O:25])=[CH:14][CH:13]=2)=[N:7][CH:8]=1)[CH3:2]
Reaction #969888
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH2:9][CH2:10][O:11][C:12]2[CH:17]=[CH:16][C:15]([CH2:18][C@H:19]3[S:23][C:22](=[O:24])[NH:21][C:20]3=[O:25])=[CH:14][CH:13]=2)=[N:7][CH:8]=1)[CH3:2]
Reaction #969889
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH2:9][CH2:10][O:11][S:20]([CH3:19])(=[O:22])=[O:21])=[N:7][CH:8]=1)[CH3:2]
Reaction #969890
DOI: 10.6084/m9.figshare.5104873.v1
[C:32]([C@@H:30]([C@H:28]([C:27]([OH:36])=[O:35])[OH:29])[OH:31])([OH:34])=[O:33]
Reaction #969891
DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]12[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH:2]1[N:11]1[CH:12]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[C:21]([CH3:28])([CH3:27])[C:22]1=[O:23])[CH2:8]2
Reaction #969892
Yield 64.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]12[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH:2]1[N:11]1[CH:14]([C:15]3[C:20]4[O:21][CH2:22][CH2:23][CH2:24][CH2:25][C:19]=4[CH:18]=[CH:17][CH:16]=3)[C:13]([CH3:26])([CH3:27])[C:12]1=[O:28])[CH2:8]2
Reaction #969893
Yield 76.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2([CH:11]=[O:12])[CH2:9][CH2:10]2)=[CH:6][CH:7]=1
Reaction #969894
Yield 63.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2([CH:12]=[O:13])[CH2:11][CH2:10]2)=[CH:5][CH:4]=1
Reaction #969895
Yield 84.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:20]1([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[CH:25]=[CH:24][C:23]([C:26]2([CH:29]3[N:32]([CH:33]4[CH:40]5[CH2:41][CH:36]6[CH2:37][CH:38]([CH2:42][CH:34]4[CH2:35]6)[CH2:39]5)[C:31](=[O:43])[C:30]3([CH3:45])[CH3:44])[CH2:28][CH2:27]2)=[CH:22][CH:21]=1
Reaction #969896
Yield 84.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl-:21]
Reaction #969897
DOI: 10.6084/m9.figshare.5104873.v1
[O:36]=[S:16]1(=[O:15])[C:22]2[CH:23]=[C:24]([O:27][C:28]3[CH:29]=[C:30]([C:31](=[N:6][OH:7])[NH2:32])[CH:33]=[CH:34][CH:35]=3)[CH:25]=[CH:26][C:21]=2[NH:20][CH2:19][CH2:18][NH:17]1
Reaction #969898
DOI: 10.6084/m9.figshare.5104873.v1
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