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Dataset #435

[C:1]1(=[O:20])[C:13]2[C:5]([C:6]3[C:11]([CH:12]=2)=[CH:10][CH:9]=[CH:8][CH:7]=3)=[CH:4][CH:3]=[CH:2]1
Reaction #1909801
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1(=[O:35])[C:13]2[C:5]([C:6]3[C:11]([CH:12]=2)=[CH:10][CH:9]=[CH:8][CH:7]=3)=[CH:4][CH:3]=[CH:2]1
Reaction #1909802
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1(=[O:18])[C:13]2[C:5]([C:6]3[C:11]([CH:12]=2)=[CH:10][CH:9]=[CH:8][CH:7]=3)=[CH:4][CH:3]=[CH:2]1
Reaction #1909803
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([NH:4][S:17]([C:6]([F:5])([F:21])[C:7]([F:15])([F:16])[C:8]([F:13])([F:14])[C:9]([F:12])([F:11])[F:10])(=[O:19])=[O:18])[CH2:2][CH3:3]
Reaction #1909804
Yield 91.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[C:4]([O:46][CH3:47])=[C:5]([CH:43]=[CH:44][CH:45]=1)[C:6]([O:19][CH2:20][C@H:21]1[O:25][C@@H:24]([N:26]2[CH:33]=[CH:32][C:30](=[O:31])[NH:29][C:27]2=[O:28])[C@H:23]([O:34][N:35]([CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[C:52]2[CH:53]=[CH:54][C:55]([N+:57]([O-:59])=[O:58])=[CH:56][C:51]=2[N+:48]([O-:50])=[O:49])[C@@H:22]1[OH:42])([C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1
Reaction #1909805
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:8][CH2:9][N:10]1[C:24](=[O:25])[C:23]([CH3:26])=[CH:22][N:12]([C@@H:13]2[O:21][C@H:18]([CH2:19][OH:20])[C@@H:16]([OH:17])[C@H:14]2[O:15][CH2:31][CH2:32][CH2:33][CH2:34][Cl:35])[C:11]1=[O:27])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #1909806
Yield 41.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]1[C:17]2[CH2:16][C@H:15]3[NH:18][CH2:20][CH2:21][C@:7]45[C@H:8]([C@@H:10]([OH:11])[CH:12]=[CH:13][C@@H:14]34)[O:9][C:5]([C:6]=25)=[C:3]([OH:4])[CH:2]=1
Reaction #1909807
Yield 77.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1
Reaction #1909808
DOI: 10.6084/m9.figshare.5104873.v1
[C:16]([CH2:15][N:11]1[CH:12]=[CH:13][C:9]([C:3]2[C:4]([F:8])=[CH:5][CH:6]=[CH:7][C:2]=2[F:1])=[N:10]1)#[N:17]
Reaction #1909809
Yield 47.7%DOI: 10.6084/m9.figshare.5104873.v1
[F:15][C:14]1[CH:13]=[CH:12][CH:11]=[C:10]([F:16])[C:9]=1[C:6]1[CH:7]=[CH:8][N:4]([C:3](=[C:26]([C:23]2[C:22]([Cl:33])=[N:21][N:20]([CH3:19])[C:24]=2[Cl:25])[OH:27])[C:1]#[N:2])[N:5]=1
Reaction #1909810
Yield 57.5%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:10][CH2:11][C:12]1[N:9]=[C:1]([C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[S:8][CH:14]=1
Reaction #1909811
Yield 57.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:14]([CH2:2][C:3]1[N:4]=[C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[S:6][CH:7]=1)#[N:15]
Reaction #1909812
Yield 73.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:20][N:21]1[C:25]([Cl:26])=[C:24]([C:27]([OH:28])=[C:3]([C:4]2[N:5]=[C:6]([C:9]3[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=3)[S:7][CH:8]=2)[C:1]#[N:2])[C:23]([Cl:30])=[N:22]1
Reaction #1909813
Yield 63.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]1[C:6]([Cl:7])=[C:5]([C:8]([O:21][C:33](=[O:38])[C:34]([CH3:37])([CH3:36])[CH3:35])=[C:9]([C:12]2[S:13][CH:14]=[C:15]([C:17]([CH3:20])([CH3:19])[CH3:18])[N:16]=2)[C:10]#[N:11])[C:4]([C:22]([F:25])([F:23])[F:24])=[N:3]1
Reaction #1909814
Yield 26.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:6][N:7]1[C:11]([Cl:3])=[C:10]([CH:22]=[O:23])[C:9]([C:13]([F:16])([F:15])[F:14])=[N:8]1
Reaction #1909815
Yield 77.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:4]([C:8]1[CH:15]=[CH:14][C:11]([CH2:12][C:1]#[N:2])=[CH:10][CH:9]=1)([CH3:7])([CH3:6])[CH3:5]
Reaction #1909816
Yield 31.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11](=[C:21]([C:18]2[C:17]([Cl:24])=[N:16][N:15]([CH3:14])[C:19]=2[Cl:20])[OH:22])[C:12]#[N:13])=[CH:9][CH:10]=1)([CH3:4])([CH3:2])[CH3:3]
Reaction #1909817
Yield 31.7%DOI: 10.6084/m9.figshare.5104873.v1
[C:2]([C:1]1[O:6][CH:11]=[C:10]([CH2:9][Cl:8])[N:7]=1)([CH3:5])([CH3:4])[CH3:3]
Reaction #1909818
Yield 51.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:4]([C:8]1[O:9][CH:10]=[C:11]([CH2:13][C:1]#[N:2])[N:12]=1)([CH3:7])([CH3:6])[CH3:5]
Reaction #1909819
Yield 92.6%DOI: 10.6084/m9.figshare.5104873.v1
[C:7]([C:11]1[O:12][CH:13]=[C:14]([C:16](=[C:25]([C:24]2[C:20]([Cl:19])=[N:21][N:22]([CH3:29])[C:23]=2[Cl:28])[OH:26])[C:17]#[N:18])[N:15]=1)([CH3:10])([CH3:8])[CH3:9]
Reaction #1909820
Yield 86.1%DOI: 10.6084/m9.figshare.5104873.v1
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