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Dataset #344

[CH3:12][C:8]1[NH:9][C:10]([CH3:11])=[C:5]([C:3]([O:2][CH3:1])=[O:4])[C@H:6]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([N+:22]([O-:24])=[O:23])[CH:17]=2)[C:7]=1[C:13]([O:45][C:32]1([CH3:31])[CH2:36][CH2:35][N:34]([CH:37]([C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)[CH3:38])[CH2:33]1)=[O:14]
Reaction #1583883
Yield 48.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:15][C:16]1[CH:17]=[C:18]([CH:21]=[C:22]([F:24])[CH:23]=1)[CH2:19][N:5]1[CH2:6][CH2:7][C:3]([CH3:2])([OH:8])[CH2:4]1
Reaction #1583884
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]([C:5]1[C@H:6]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([N+:22]([O-:24])=[O:23])[CH:17]=2)[C:7]([C:13]([OH:15])=[O:14])=[C:8]([CH3:12])[NH:9][C:10]=1[CH3:11])=[O:4]
Reaction #1583885
Yield 18.6%DOI: 10.6084/m9.figshare.5104873.v1
[OH:11][C:12]1([CH3:6])[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13]1
Reaction #1583886
Yield 83.8%DOI: 10.6084/m9.figshare.5104873.v1
[C:15]1([CH:21]([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[N:5]2[CH2:6][CH2:7][C:3]([CH3:2])([OH:8])[CH2:4]2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1
Reaction #1583887
Yield 52.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:9]1[C:8]2[CH:15]=[CH:16][CH:5]=[CH:6][C:7]=2[NH:11][C:19]=1[C:18]([OH:21])=[O:20]
Reaction #1583888
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8](/[N:11]=[CH:12]/[N:13]([CH3:15])[CH3:14])(=[O:10])=[O:9]
Reaction #1583889
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:18][O:15][C:14]([C:4]1[CH:3]=[C:2]([CH3:1])[C:7]2[N:8]=[C:9]([CH2:11][CH2:12][CH3:13])[NH:10][C:6]=2[CH:5]=1)=[O:16]
Reaction #1583890
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]([C:5]1[CH:16]=[C:15]([CH3:17])[C:8]2[N:9]=[C:10]([CH2:12][CH2:13][CH3:14])[N:11]([CH2:39][C:36]3[CH:37]=[CH:38][C:33]([C:28]4[CH:29]=[CH:30][CH:31]=[CH:32][C:27]=4[C:25]([O:24][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:26])=[CH:34][CH:35]=3)[C:7]=2[CH:6]=1)=[O:4]
Reaction #1583891
Yield 74.7%DOI: 10.6084/m9.figshare.5104873.v1
[C:14]([O:18][C:19](=[O:20])[NH:21][C@H:22]([CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[CH2:23][C:24](=[O:25])[NH:42][OH:43])([CH3:17])([CH3:16])[CH3:15]
Reaction #1583892
Yield 6.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:12][O:5][C:4](=[O:6])[C:3]1[CH:7]=[CH:8][C:9]([CH3:11])=[CH:10][C:2]=1[F:1]
Reaction #1583893
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:22][O:20][C:19]([C:9]1[CH:8]=[C:7]([CH3:6])[C:12]2[N:13]=[C:14]([CH2:16][CH2:17][CH3:18])[NH:15][C:11]=2[CH:10]=1)=[O:21]
Reaction #1583894
Yield 92.1%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:18][O:19][C:20](=[O:30])[C:21]1[CH:26]=[CH:25][C:24]([CH2:27][N:10]2[C:6]3[CH:5]=[C:4]([CH2:14][OH:15])[CH:3]=[C:2]([CH3:1])[C:7]=3[N:8]=[C:9]2[CH2:11][CH2:12][CH3:13])=[CH:23][C:22]=1[F:29]
Reaction #1583895
Yield 43.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3](=[O:27])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]2[C:15]3[CH:16]=[C:17]([CH2:21][N:42]=[N+:43]=[N-:44])[CH:18]=[C:19]([CH3:20])[C:14]=3[N:13]=[C:12]2[CH2:23][CH2:24][CH3:25])=[CH:6][C:5]=1[F:26]
Reaction #1583896
Yield 81.7%DOI: 10.6084/m9.figshare.5104873.v1
[Br:14][C@H:2]([CH2:3][CH:4]([CH3:6])[CH3:5])[C:7]([OH:9])=[O:8]
Reaction #1583897
Yield 86.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[S:16](/[N:19]=[CH:3]/[N:4]([CH3:6])[CH3:5])(=[O:18])=[O:17]
Reaction #1583898
Yield 96.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:14][N:13]([CH3:15])/[CH:12]=[N:11]/[S:8]([C:3]1[C:2]([C:20]2[CH:21]=[CH:22][C:17]([CH3:16])=[CH:18][CH:19]=2)=[CH:7][CH:6]=[CH:5][CH:4]=1)(=[O:10])=[O:9]
Reaction #1583899
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][CH2:2][O:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]2[CH:12]=[C:13]([C@@H:18]3[O:23][C@H:22]([CH2:24][OH:25])[C@@H:21]([OH:26])[C@H:20]([OH:27])[C@H:19]3[OH:28])[CH:14]=[CH:15][C:16]=2[Cl:17])=[CH:6][CH:5]=1
Reaction #1583900
DOI: 10.6084/m9.figshare.5104873.v1
[C:27]([O:26][CH2:25][C:23]([C:8]1([OH:30])[C@:9]2([CH3:22])[CH:5]([CH:4]3[C:12](=[CH:11][CH2:10]2)[C@:13]2([CH3:20])[C:14](=[CH:15][C:16](=[O:17])[CH:18]=[CH:19]2)[C@@H:2]([CH3:1])[CH2:3]3)[CH2:6][CH2:7]1)=[O:24])(=[O:28])[CH3:29]
Reaction #1583901
DOI: 10.6084/m9.figshare.5104873.v1
[C:30]([C@@:1]1([CH3:2])[O:3][C@:8]2([C@:24]3([CH3:25])[CH:11]([CH:12]4[C:21](=[CH:22][CH2:23]3)[C@:20]3([CH3:26])[C:15](=[CH:16][C:17](=[O:27])[CH:18]=[CH:19]3)[C@@H:14]([CH3:28])[CH2:13]4)[CH2:10][CH2:9]2)[C:6](=[O:7])[CH2:5][O:4]1)(=[O:32])[CH3:31]
Reaction #1583902
DOI: 10.6084/m9.figshare.5104873.v1
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