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Dataset #73

[OH:26][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[C:9](=[O:11])[CH2:8][CH:7]([C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1)[CH3:18]
Reaction #417933
Yield 38.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:8]1([CH3:19])[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[CH2:14][CH2:15][C:16]([O:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)=[O:17]
Reaction #417934
Yield 93.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:8][CH:9]([CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:10]([O:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)=[O:11]
Reaction #417935
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:7]1[CH:12]([CH2:13][N:14]2[C:19](=[O:20])[CH:18]=[CH:17][C:15]2=[O:16])[CH2:11][CH2:10][CH:9]([C:21]([O:23][N:24]2[C:25](=[O:26])[CH2:27][CH2:28][C:29]2=[O:30])=[O:22])[CH2:8]1
Reaction #417936
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:5]1[N:4]([CH2:3][CH2:20][OH:22])[CH2:8][CH2:7][N:10]([CH2:11][CH2:13][S:66]([OH:69])(=[O:67])=[O:65])[CH2:70]1
Reaction #417937
Yield 0.1%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C@@H:2]1[O:7][C@@H:6]([O:8][C@@H:9]2[C:14]3=[C:15]([OH:32])[C:16]4[C:28](=[O:29])[C:27]5[C:22](=[CH:23][CH:24]=[CH:25][C:26]=5[O:30][CH3:31])[C:20](=[O:21])[C:17]=4[C:18]([OH:19])=[C:13]3[CH2:12][C@@:11]([OH:37])([C:33]([CH2:35][OH:36])=[O:34])[CH2:10]2)[CH2:5][C@H:4]([NH2:38])[C@H:3]1[OH:39]
Reaction #417938
Yield 64.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:21]([NH:20][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1)([NH:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1)=[O:5]
Reaction #417939
DOI: 10.6084/m9.figshare.5104873.v1
[C:2]1([O-:8])[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #417940
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:24]([O:42][C:39](=[O:40])[C:4]1[CH:9]=[CH:10][C:11]([NH2:26])=[C:2]([NH2:1])[CH:3]=1)[CH3:15]
Reaction #417941
Yield 86.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:3][C:4]([C:5]1[CH:10]=[CH:9][C:8]([B:14]([OH:18])[OH:15])=[CH:7][CH:6]=1)=[O:13]
Reaction #417942
Yield 228.9%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([NH:10][C:11](=[O:13])[CH3:12])[CH3:9])=[CH:4][CH:3]=1
Reaction #417943
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@@H:8]([NH:10][C:18](=[O:17])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22])[CH3:9])=[CH:4][CH:3]=1
Reaction #417944
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[C:7]([O:15][CH3:14])=[N:6][C:5]([O:8][CH2:9][CH3:10])=[CH:4][CH:3]=1
Reaction #417945
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[N:3]=[C:4]([N:13]([CH2:12][CH:11]([F:15])[F:10])[CH3:14])[CH:5]=[CH:6][CH:7]=1
Reaction #417946
DOI: 10.6084/m9.figshare.5104873.v1
[OH:11][C:8]1[CH:9]=[CH:10][C:5]([C@@H:3]([NH:2][C:23](=[O:24])[O:25][CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH3:4])=[CH:6][CH:7]=1
Reaction #417947
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:10][CH2:11][CH3:12])=[CH:4][N:3]=1
Reaction #417948
DOI: 10.6084/m9.figshare.5104873.v1
[Br:8][C:9]1[CH:10]=[CH:11][C:12]([O:5][CH2:4][CH:1]2[CH2:3][CH2:2]2)=[N:13][CH:14]=1
Reaction #417949
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:12][CH2:11][C:10]([F:15])([F:14])[F:9])=[CH:4][N:3]=1
Reaction #417950
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[C:7]([F:8])=[CH:6][N:5]=[C:4]([O:9][CH2:10][CH3:11])[CH:3]=1
Reaction #417951
DOI: 10.6084/m9.figshare.5104873.v1
[Br:11][C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([C:19]2([S:20]([CH3:23])(=[O:22])=[O:21])[CH2:25][CH2:24]2)[N:13]=1
Reaction #417952
DOI: 10.6084/m9.figshare.5104873.v1
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