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Dataset #183

[CH2:1]([O:3][C:4](=[O:10])[CH2:5][CH2:6][C:7]1([Br:9])[CH2:8][C:11]1([Br:14])[Br:12])[CH3:2]
Reaction #927264
Yield 66.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:3]([C:2]1[CH:13]([C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH:1]=1)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10]
Reaction #927265
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:9]1[CH:10]([C:12]([OH:14])=[O:13])[CH:11]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]
Reaction #927266
Yield 81.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:9]1[CH:10]([C:12]([Cl:18])=[O:14])[CH:11]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]
Reaction #927267
Yield 85.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C:9]1[CH:10]([C:12]([OH:13])=[O:28])[CH:11]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]
Reaction #927268
Yield 9.6%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1([Br:14])[CH2:4][C:3]1([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]([OH:15])=[O:12])[Br:13]
Reaction #927269
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:22][O:21][N:23]=[C:10]([CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][C:1]1[CH2:3][CH:2]=1)[CH3:11]
Reaction #927270
Yield 28.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:18]([N:20]([CH2:21][CH3:22])[C:10](=[O:12])[CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][C:1]1[CH2:3][CH:2]=1)[CH3:19]
Reaction #927271
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][CH2:2][C@H:3]1[O:18][C:16](=[O:17])[C@H:15]([CH3:19])[C@@H:14]([O:20][C@@H:21]2[O:26][C@@H:25]([CH3:27])[C@H:24]([OH:28])[C@@:23]([O:30][CH3:31])([CH3:29])[CH2:22]2)[C@H:13]([CH3:32])[C@@H:12]([O:33][C@@H:34]2[O:39][C@H:38]([CH3:40])[CH2:37][C@H:36]([N:41]([CH3:43])[CH3:42])[C@H:35]2[OH:44])[C@@:11]([OH:46])([CH3:45])[CH2:10][C@@H:9]([CH3:47])[CH2:8][N:7]([CH3:48])[C@H:6]([CH3:49])[C@@H:5]([OH:50])[C@@:4]1([OH:52])[CH3:51]
Reaction #927272
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([N:25]([CH3:24])[C:26](=[O:28])[CH3:27])(=[O:10])[CH:2]=[CH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1
Reaction #927273
DOI: 10.6084/m9.figshare.5104873.v1
[CH:2]([C:3]1[N:4]2[C:15]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[CH:14][N:13]([NH:22][C:23](=[O:30])[C:24]3[CH:29]=[CH:28][N:27]=[CH:26][CH:25]=3)[C:12](=[O:31])[C:6]3=[CH:7][CH2:8][CH2:9][C:10]([CH:11]=1)=[C:5]23)=[O:1]
Reaction #927274
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:14]([NH2:15])=[N:13][C:12]([N:16]3[CH2:21][CH2:20][N:19]([C:22]([C:24]4[O:28][CH:27]=[CH:26][CH:25]=4)=[O:23])[CH2:18][CH2:17]3)=[N:11][C:6]2=[CH:7][C:8]=1[O:9][CH3:10]
Reaction #927275
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:8]=[CH:7][C:5]([NH:6][S:18]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)(=[O:20])=[O:19])=[CH:4][C:3]=1[N+:9]([O-:11])=[O:10]
Reaction #927276
DOI: 10.6084/m9.figshare.5104873.v1
[N+:18]([C:3]1[CH:4]=[C:5]([NH:8][S:9]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)(=[O:11])=[O:10])[CH:6]=[CH:7][C:2]=1[NH:27][CH2:26][C:25]1[CH:28]=[C:29]([C:31]([F:32])([F:33])[F:34])[CH:30]=[C:23]([C:22]([F:21])([F:35])[F:36])[CH:24]=1)([O-:20])=[O:19]
Reaction #927277
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:4]1[CH:5]=[C:6]([NH:26][S:27]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)(=[O:28])=[O:29])[CH:7]=[CH:8][C:9]=1[NH:10][CH2:11][C:12]1[CH:17]=[C:16]([C:18]([F:21])([F:19])[F:20])[CH:15]=[C:14]([C:22]([F:23])([F:24])[F:25])[CH:13]=1
Reaction #927278
DOI: 10.6084/m9.figshare.5104873.v1
[C:34]([C:36]1[CH:37]=[CH:38][C:39]([CH2:42][CH2:46][C:47]2[N:8]([CH2:9][C:10]3[CH:15]=[C:14]([C:16]([F:19])([F:17])[F:18])[CH:13]=[C:12]([C:20]([F:21])([F:22])[F:23])[CH:11]=3)[C:7]3[CH:6]=[CH:5][C:4]([NH:24][S:25]([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)(=[O:26])=[O:27])=[CH:3][C:2]=3[N:1]=2)=[CH:40][CH:41]=1)#[N:35]
Reaction #927279
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:21][C:19]1[CH:18]=[CH:17][C:14]2[N:15]([CH3:16])[C:11]([CH2:10][CH2:9][C:6]3[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[CH:4][CH:5]=3)=[N:12][C:13]=2[CH:20]=1
Reaction #927280
DOI: 10.6084/m9.figshare.5104873.v1
[C:17]([C:14]1[CH:15]=[CH:16][C:11]([CH2:10][CH2:9][C:7]2[N:6]([CH3:19])[C:5]3[CH:20]=[CH:21][C:2]([NH:1][CH2:28][C:27]4[CH:30]=[CH:31][C:24]([N:23]([CH3:32])[CH3:22])=[CH:25][CH:26]=4)=[CH:3][C:4]=3[N:8]=2)=[CH:12][CH:13]=1)#[N:18]
Reaction #927281
DOI: 10.6084/m9.figshare.5104873.v1
[NH4+:18]
Reaction #927282
Yield 155.2%DOI: 10.6084/m9.figshare.5104873.v1
[NH4+:18]
Reaction #927283
Yield 191.5%DOI: 10.6084/m9.figshare.5104873.v1
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