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Dataset #114

[CH2:13]([CH:12]1[CH2:17][O:18][C:9]([NH:8][C:4]2[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=2)=[N:11]1)[CH2:14][CH2:15][CH3:16]
Reaction #531866
DOI: 10.6084/m9.figshare.5104873.v1
[OH:22][C@H:19]1[CH2:20][CH2:21][C@H:16]([NH:15][C:12]([NH:11][C:1]23[CH2:10][CH:5]4[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]4)[CH2:2]2)[CH2:8]3)=[O:13])[CH2:17][CH2:18]1
Reaction #531867
DOI: 10.6084/m9.figshare.5104873.v1
[O:17]=[C:16]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[C:9](=[O:18])[N:8]1[C@H:5]1[CH2:4][CH2:3][C@H:2]([O:1][C:45](=[O:46])[C:44]2[CH:43]=[CH:42][C:41]([N+:38]([O-:40])=[O:39])=[CH:49][CH:48]=2)[CH2:7][CH2:6]1
Reaction #531868
DOI: 10.6084/m9.figshare.5104873.v1
[OH:20][C@@H:17]1[CH2:18][CH2:19][C@H:14]([NH:13][C:12]([NH:11][C:1]23[CH2:2][CH:3]4[CH2:9][CH:7]([CH2:6][CH:5]([CH2:4]4)[CH2:10]2)[CH2:8]3)=[O:32])[CH2:15][CH2:16]1
Reaction #531869
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:22]([O:29][C@@H:30]1[CH2:35][CH2:34][C@H:33]([NH:36][C:37]([NH:39][C:40]23[CH2:47][CH:46]4[CH2:48][CH:42]([CH2:43][CH:44]([CH2:45]4)[CH2:49]2)[CH2:41]3)=[O:38])[CH2:32][CH2:31]1)[C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1
Reaction #531870
Yield 60.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:38][C:39]1[CH:44]=[CH:43][C:42]([O:1][C@@H:2]2[CH2:3][CH2:4][C@H:5]([N:8]3[C:9](=[O:18])[C:10]4[C:15](=[CH:14][CH:13]=[CH:12][CH:11]=4)[C:16]3=[O:17])[CH2:6][CH2:7]2)=[CH:41][CH:40]=1
Reaction #531871
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:3]=[CH:4][C:5]([O:6][C@@H:7]2[CH2:8][CH2:9][C@H:10]([NH:13][C:27]([NH:26][C:16]34[CH2:25][CH:20]5[CH2:19][CH:18]([CH2:24][CH:22]([CH2:21]5)[CH2:23]3)[CH2:17]4)=[O:28])[CH2:11][CH2:12]2)=[CH:14][CH:15]=1
Reaction #531872
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[C:3]([OH:10])=[C:4]([C:20](=[O:21])[C:19]([F:26])([F:25])[F:18])[CH:5]=[C:6]([Cl:8])[CH:7]=1
Reaction #531873
Yield 67.1%DOI: 10.6084/m9.figshare.5104873.v1
[CH:21]1([C:5]([C:4]2[CH:16]=[C:17]([Cl:19])[CH:18]=[C:2]([Cl:1])[C:3]=2[OH:20])=[O:6])[CH2:23][CH2:22]1
Reaction #531874
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:12][C:7]1[C:5]([OH:6])=[C:4]([C:3](=[O:13])[CH:14]([CH3:16])[CH3:15])[CH:10]=[C:9]([Cl:11])[CH:8]=1
Reaction #531875
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[C:3]([OH:11])=[C:4]([C:8](=[N:21][NH:20][C:12](=[O:19])[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH3:9])[CH:5]=[CH:6][CH:7]=1
Reaction #531876
Yield 59.1%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:17][C:12]1[C:11](/[C:2](/[NH:21][CH2:18][CH2:19][CH3:20])=[C:3](\[C:9]#[N:10])/[C:4]([O:6][CH2:7][CH3:8])=[O:5])=[CH:16][CH:15]=[CH:14][N:13]=1
Reaction #531877
Yield 74.3%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:17][C:12]1[C:11](/[C:2](/[NH:27][CH2:26][CH:25]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)[CH:28]([CH3:30])[CH3:29])=[C:3](\[C:9]#[N:10])/[C:4]([O:6][CH2:7][CH3:8])=[O:5])=[CH:16][CH:15]=[CH:14][N:13]=1
Reaction #531878
Yield 86.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:17][C:12]1[C:11](/[C:2](/[NH:32][CH2:31][CH2:30][C:21]2[C:20]([Cl:19])=[CH:25][C:24]([C:26]([F:29])([F:28])[F:27])=[CH:23][N:22]=2)=[C:3](\[C:9]#[N:10])/[C:4]([O:6][CH2:7][CH3:8])=[O:5])=[CH:16][CH:15]=[CH:14][N:13]=1
Reaction #531879
Yield 100.3%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:17][C:12]1[C:11](/[C:2](/[NH:27][CH:25]([C:22]2[CH:23]=[N:24][C:19]([Cl:18])=[CH:20][CH:21]=2)[CH3:26])=[C:3](\[C:9]#[N:10])/[C:4]([O:6][CH2:7][CH3:8])=[O:5])=[CH:16][CH:15]=[CH:14][N:13]=1
Reaction #531880
Yield 73.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:16][C:15]1[C:14]([CH3:17])=[CH:13][S:12][C:11]=1/[C:2](/[NH:23][C@H:22]([CH3:24])[C:21]([NH:20][CH3:19])=[O:25])=[C:3](\[C:9]#[N:10])/[C:4]([O:6][CH2:7][CH3:8])=[O:5]
Reaction #531881
Yield 60.4%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:6]=[CH:5][S:4][C:3]=1/[C:7](/[NH:17][CH:18]([C:20]1[S:21][CH:22]=[CH:23][N:24]=1)[CH3:19])=[C:8](\[C:15]#[N:16])/[C:9]([OH:11])=[O:10]
Reaction #531882
Yield 92.1%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:6]=[CH:5][S:4][C:3]=1[C:7]([NH:14][CH:15]([C:17]1[S:18][CH:19]=[CH:20][N:21]=1)[CH3:16])=[C:8]([C:12]#[N:13])[C:9]([NH:25][CH:22]([CH3:24])[CH3:23])=[O:11]
Reaction #531883
Yield 45.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:1](/[C:3](=[C:9](\[C:18]1[C:19]([CH:24]([F:26])[F:25])=[N:20][N:21]([CH3:23])[CH:22]=1)/[NH:10][CH:11]([C:13]1[S:14][CH:15]=[CH:16][N:17]=1)[CH3:12])/[C:4]([NH:29][CH:27]1[CH2:30][CH2:28]1)=[O:6])#[N:2]
Reaction #531884
Yield 54.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[C:7](/[C:8](/[NH:12][CH:13]2[CH2:15][CH:14]2[CH2:16][CH3:17])=[C:9](\[C:10]#[N:11])/[C:23](=[S:24])[NH:22][CH2:20][CH3:21])=[CH:6][CH:5]=[CH:4][N:3]=1
Reaction #531885
Yield 29.1%DOI: 10.6084/m9.figshare.5104873.v1
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