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Dataset #519

[NH2:4][C:3]1[CH:5]=[CH:6][C:7]([O:9][C:10]([F:13])([F:12])[F:11])=[CH:8][C:2]=1[C:15]#[N:16]
Reaction #2329050
Yield 76.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:19][C:2]([F:1])([F:18])[O:3][C:4]1[CH:13]=[CH:12][C:11]([NH2:10])=[C:6]([C:7]2[NH:8][N:15]=[CH:16][N:17]=2)[CH:5]=1
Reaction #2329051
Yield 65.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:18][CH2:19][C:20]([NH:10][C:7]1[CH:8]=[CH:9][C:4]([O:3][C:2]([F:1])([F:16])[F:17])=[CH:5][C:6]=1[C:11]1[NH:12][N:13]=[CH:14][N:15]=1)=[O:21]
Reaction #2329052
Yield 82.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:14][C:13]([F:16])([F:15])[O:12][C:9]1[CH:10]=[CH:11][C:6]2[NH:5][C:3](=[O:4])[CH2:2][N:18]3[C:17](=[N:21][CH:20]=[N:19]3)[C:7]=2[CH:8]=1
Reaction #2329053
Yield 24.4%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:11]=[CH:10][C:9]([NH2:8])=[C:4]([C:5]2[NH:6][N:13]=[CH:14][N:15]=2)[CH:3]=1
Reaction #2329054
Yield 87.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]2[NH:8][C:16](=[O:17])[CH2:15][N:10]3[C:9](=[N:13][CH:12]=[N:11]3)[C:4]=2[CH:3]=1
Reaction #2329055
Yield 46.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:4][C:5]1[CH:10]=[CH:9][C:8]([N:11]2[C:14](=[O:15])[CH:13]([CH2:16][CH2:17][CH:18]([C:20]3[CH:21]=[CH:22][C:23]([F:26])=[CH:24][CH:25]=3)[OH:19])[CH:12]2[C:5]2[CH:10]=[CH:9][C:41]([C:40]([NH:3][OH:2])=[NH:37])=[CH:7][CH:6]=2)=[CH:7][CH:6]=1
Reaction #2329056
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:11](=[O:12])[CH:10]([CH2:13][CH2:14][CH:15]([C:17]3[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=3)[OH:16])[CH:9]2[C:24]2[CH:33]=[CH:32][C:27]([C:28]([NH2:30])=[NH:29])=[CH:26][CH:25]=2)=[CH:6][CH:7]=1
Reaction #2329057
DOI: 10.6084/m9.figshare.5104873.v1
[F:4][C:5]1[CH:6]=[CH:7][C:8]([CH:11]([OH:35])[CH2:12][CH2:13][CH:14]2[C:17](=[O:18])[N:16]([C:19]3[CH:26]=[CH:25][C:22]([C:23]([NH:3][OH:2])=[NH:24])=[CH:21][CH:20]=3)[CH:15]2[C:27]2[CH:28]=[CH:29][C:30]([O:33][CH3:34])=[CH:31][CH:32]=2)=[CH:9][CH:10]=1
Reaction #2329058
DOI: 10.6084/m9.figshare.5104873.v1
[F:33][C:30]1[CH:29]=[CH:28][C:27]([CH:15]2[CH:14]([CH2:13][CH2:12][CH:11]([C:8]3[CH:7]=[CH:6][C:5]([F:4])=[CH:10][CH:9]=3)[OH:34])[C:17](=[O:18])[N:16]2[C:19]2[CH:26]=[CH:25][C:22]([C:23]([NH:3][OH:2])=[NH:24])=[CH:21][CH:20]=2)=[CH:32][CH:31]=1
Reaction #2329059
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[CH:11]([CH2:12][CH2:13][CH:14]([C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)[OH:15])[C:10](=[O:23])[N:9]2[C:24]2[CH:25]=[CH:26][C:27]([C:28]([NH2:30])=[NH:29])=[CH:32][CH:33]=2)=[CH:6][CH:7]=1
Reaction #2329060
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:32][CH2:31][C:30]1[CH:29]=[CH:28][C:27]([N:26]2[CH:19]([C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH:45]([CH2:44][CH2:43][CH:42]([OH:60])[C:39]3[CH:40]=[CH:41][CH:36]=[CH:37][CH:38]=3)[C:46]2=[O:47])=[CH:34][CH:33]=1
Reaction #2329061
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:14][C:10]1[C:9]([CH3:15])=[C:8]([S:5]([NH:4][C:2]2[S:3][C:17]([CH2:18][C:19]([O:21][CH3:22])=[O:20])=[CH:23][N:1]=2)(=[O:6])=[O:7])[CH:13]=[CH:12][CH:11]=1
Reaction #2329062
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[C:3]([CH3:22])=[C:4]([S:8]([NH:11][C:12]2[S:13][C:14]([CH2:17][C:18]([OH:20])=[O:19])=[CH:15][N:16]=2)(=[O:9])=[O:10])[CH:5]=[CH:6][CH:7]=1
Reaction #2329063
Yield 104.9%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[C:3]([CH3:21])=[C:4]([S:8]([NH:11][C:12]2[S:13][C:14]([CH2:17][C:18]([N:40]3[CH2:45][CH2:44][O:43][CH2:42][CH2:41]3)=[O:20])=[CH:15][N:16]=2)(=[O:9])=[O:10])[CH:5]=[CH:6][CH:7]=1
Reaction #2329064
Yield 10.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:11][C:3]1[C:2]([Cl:1])=[CH:7][C:6]([O:8][CH3:9])=[CH:5][C:4]=1[Cl:10]
Reaction #2329065
Yield 67.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:15][C:14]([F:17])([F:16])[C:11]1[CH:12]=[CH:13][C:8]([N:1]2[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]2)=[N:9][CH:10]=1
Reaction #2329066
Yield 69.5%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:11][C:3]1[CH:4]=[C:5]([O:9][CH3:10])[CH:6]=[C:7]([Cl:8])[C:2]=1[N:23]1[CH2:24][CH2:25][N:20]([C:17]2[CH:16]=[CH:15][C:14]([C:13]([F:27])([F:12])[F:26])=[CH:19][N:18]=2)[CH2:21][CH2:22]1
Reaction #2329067
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[C:7]([Cl:8])=[CH:6][C:5]([OH:9])=[CH:4][C:3]=1[N:11]1[CH2:12][CH2:13][N:14]([C:17]2[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:24])[F:25])=[CH:19][N:18]=2)[CH2:15][CH2:16]1
Reaction #2329068
Yield 46.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:20][C:18]1([CH3:21])[O:17][C:16]2[C:11]([O:10][CH2:9][CH2:8][CH2:7][CH2:6][OH:5])=[CH:12][CH:13]=[CH:14][C:15]=2[CH2:19]1
Reaction #2329069
Yield 84.6%DOI: 10.6084/m9.figshare.5104873.v1
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