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Dataset #518

[CH3:15][C:12]1[CH:13]=[CH:14][C:9]([N:8]([C:16]2[C:17]3[C:22]([C:23]([Br:32])=[C:24]4[C:29]=2[CH:28]=[CH:27][CH:26]=[CH:25]4)=[CH:21][CH:20]=[CH:19][CH:18]=3)[C:5]2[CH:4]=[CH:3][C:2]([CH3:1])=[CH:7][CH:6]=2)=[CH:10][CH:11]=1
Reaction #2320135
Yield 83.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:35]([OH:57])[C@H:36]1[O:41][C@H:40]([O:34][CH2:1][C@H:2]2[O:7][C@H:6]([O:8][C@H:9]3[C@H:14]([OH:15])[C@@H:13]([OH:16])[C@@H:12]([O:17][C@H:18]4[C@H:23]([OH:24])[C@@H:22]([OH:25])[CH:21]([OH:26])[O:20][C@@H:19]4[CH2:27][OH:28])[O:11][C@@H:10]3[CH2:29][OH:30])[C@H:5]([OH:31])[C@@H:4]([OH:32])[C@@H:3]2[OH:33])[C@H:39]([OH:54])[C@@H:38]([OH:55])[C@@H:37]1[OH:56]
Reaction #2320136
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([OH:34])[C@H:2]1[O:7][C@H:6]([O:8][CH2:9][C@H:10]2[O:15][CH:14]([OH:16])[C@H:13]([OH:28])[C@@H:12]([OH:29])[C@@H:11]2[OH:30])[C@H:5]([OH:31])[C@@H:4]([OH:32])[C@@H:3]1[OH:33]
Reaction #2320137
DOI: 10.6084/m9.figshare.5104873.v1
[Br:7][C:8]1[CH:9]=[CH:10][C:11]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])=[CH:16][CH:15]=2)=[CH:12][CH:13]=1
Reaction #2320138
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:13]=[CH:12][C:11]([O:14][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])=[CH:10][CH:9]=2)=[CH:6][CH:7]=1
Reaction #2320139
DOI: 10.6084/m9.figshare.5104873.v1
[CH:26]([O:25][C:23](=[O:24])[O:22][CH2:21][CH:14]1[CH2:15][CH:16]([OH:17])[CH:12]([N:8]2[C:6]3[N:7]=[C:2]([NH2:1])[N:3]=[CH:4][C:5]=3[S:10][C:9]2=[O:11])[O:13]1)([CH3:28])[CH3:27]
Reaction #2320140
Yield 66.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:31][C@@H:30]([OH:22])[C@H:29]([NH:28][C:37]([C@@H:3]([NH2:2])[CH2:4][CH2:5][CH2:18][CH2:19][NH2:20])=[O:39])[C:34]([OH:36])=[O:35]
Reaction #2320141
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:21][O:19][C:18](=[O:20])[C@H:9]([CH2:10][C:11]1[CH:12]=[CH:13][C:14]([I:17])=[CH:15][CH:16]=1)[NH:8][C:1]([O:3][C:4]([CH3:5])([CH3:7])[CH3:6])=[O:2]
Reaction #2320142
Yield 111.8%DOI: 10.6084/m9.figshare.5104873.v1
[C:13](=[C:9]([CH:7]([CH2:6][OH:5])[OH:8])[OH:10])([CH3:14])[CH3:12]
Reaction #2320143
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:5][C:6]1[C:13]([Cl:14])=[CH:12][CH:11]=[CH:10][C:7]=1[C:8]1[NH:17][N:16]=[N:15][N:9]=1
Reaction #2320144
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[C:10]([Cl:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([N:6]=[CH:14][N:15]([CH3:17])[CH3:16])=[O:5]
Reaction #2320145
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:9][C:3]1[C:2]([Cl:1])=[CH:7][CH:6]=[CH:5][C:4]=1[C:15]#[C:14][Si:11]([CH3:13])([CH3:12])[CH3:10]
Reaction #2320146
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:18]([C:19]1[N:1]([C:4]2[CH:9]=[CH:8][CH:7]=[C:6]([Cl:10])[C:5]=2[Cl:11])[N:2]=[N:3][CH:20]=1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1
Reaction #2320147
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([C:18]#[C:17][CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:3]=1[Cl:9]
Reaction #2320148
DOI: 10.6084/m9.figshare.5104873.v1
[O:1]1[C:5]2[C:6]([CH2:15][OH:14])=[CH:7][CH:8]=[CH:9][C:4]=2[CH2:3][CH2:2]1
Reaction #2320149
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:7]([C:9]1[CH:16]=[CH:15][CH:14]=[CH:13][C:10]=1[CH2:11][NH2:12])[CH3:8]
Reaction #2320150
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:5]([C:4]1[N:22]([C:16]2[CH:17]=[CH:18][CH:19]=[C:20]([Cl:21])[C:15]=2[Cl:14])[N:23]=[CH:1][N:3]=1)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1
Reaction #2320151
DOI: 10.6084/m9.figshare.5104873.v1
[CH:12]([NH:10][C:8](=[O:9])[CH2:7][C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][C:1]=1[CH3:11])=[O:13]
Reaction #2320152
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:21]([C:20]1[N:8]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[N:9]=[CH:17][N:19]=1)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1
Reaction #2320153
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:2][C:3]1[C:8]([C:9]([F:12])([F:11])[F:10])=[CH:7][CH:6]=[CH:5][C:4]=1[N:13]1[C:27]([CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=2[CH3:16])=[N:26][CH:24]=[N:14]1
Reaction #2320154
DOI: 10.6084/m9.figshare.5104873.v1
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