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Dataset #433

[Br:22][C:15]1[C:14]([N:34]2[C:33]3[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=3[C:27]3[C:35]2=[CH:23][CH:24]=[CH:25][CH:26]=3)=[CH:19][C:18]([Br:20])=[C:17]([N:4]2[C:2]3[CH:3]=[CH:31][CH:30]=[CH:29][C:28]=3[C:27]3[C:26]2=[CH:25][CH:24]=[CH:23][CH:35]=3)[CH:16]=1
Reaction #1904047
Yield 5.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:26]([C:11]1([CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])[C:45]2[CH:44]=[C:43]([N:42]([C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=3)[C:36]3[CH:37]=[CH:38][CH:39]=[CH:40][CH:41]=3)[CH:48]=[CH:47][C:46]=2[C:18]2[C:23]1=[CH:22][C:21]([I:24])=[CH:20][CH:19]=2)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35]
Reaction #1904048
DOI: 10.6084/m9.figshare.5104873.v1
[OH:11][CH:10]1[O:9][C@H:8]([CH2:36][OH:37])[C@H:7]([OH:38])[C@H:6]([OH:39])[C@H:5]1[NH:4][C:2]([CH3:1])=[O:3]
Reaction #1904049
DOI: 10.6084/m9.figshare.5104873.v1
[P:2]([O-:5])([O-:4])([O-:3])=[O:1]
Reaction #1904050
Yield 15.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:11][C@H:12]([CH2:29][P:30]([O:32][CH3:33])([O:34][CH3:35])=[O:31])[C:13]([NH:15][C:16]1[CH:21]=[CH:20][C:19]([N:22]2[CH2:27][CH2:26][O:25][CH2:24][C:23]2=[O:28])=[CH:18][CH:17]=1)=[O:14]
Reaction #1904051
Yield 93.2%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:26][C:27]1[CH:32]=[CH:31][C:30]([NH:33][C:34](=[O:35])[NH:1][C@H:2]([CH2:3][P:4]([O:5][CH3:6])([O:7][CH3:8])=[O:9])[C:10]([NH:11][C:12]2[CH:13]=[CH:14][C:15]([N:18]3[CH2:23][CH2:22][O:21][CH2:20][C:19]3=[O:24])=[CH:16][CH:17]=2)=[O:25])=[CH:29][CH:28]=1
Reaction #1904052
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:11][C:5]1[CH:4]=[CH:3][C:2]([Br:1])=[CH:10][C:6]=1[C:7](=[O:9])[CH3:16]
Reaction #1904053
Yield 59.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:8][C:5]1[CH:6]=[CH:7][C:2]([NH:1][C:26](=[O:27])[CH2:25][Cl:24])=[C:3]([C:9]([OH:11])([C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)[CH3:10])[CH:4]=1
Reaction #1904054
Yield 96.5%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]2[NH:8][C:9](=[O:12])[CH2:10][O:20][C:13]([CH3:14])([C:15]3[S:16][CH:17]=[CH:18][CH:19]=3)[C:4]=2[CH:3]=1
Reaction #1904055
Yield 96.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:26][N:17]1[C:13]([C:10]2[CH:11]=[CH:12][C:7]3[NH:6][C:5](=[O:20])[CH2:4][O:3][C:2]([CH3:1])([C:21]4[S:22][CH:23]=[CH:24][CH:25]=4)[C:8]=3[CH:9]=2)=[CH:14][CH:15]=[C:16]1[C:18]#[N:19]
Reaction #1904056
Yield 22.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][C:3]=1[C:9]([C:13]1[S:12][CH:16]=[CH:15][N:14]=1)([OH:11])[CH3:10]
Reaction #1904057
DOI: 10.6084/m9.figshare.5104873.v1
[C:36]([C:15]1[N:14]([C:18]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:19])[C:13]([C:10]2[CH:11]=[CH:12][C:7]3[NH:6][C:5](=[O:25])[CH2:4][O:3][C:2]([CH3:1])([C:26]4[S:27][CH:28]=[CH:29][N:30]=4)[C:8]=3[CH:9]=2)=[CH:17][CH:16]=1)#[N:35]
Reaction #1904058
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[CH:10]=[CH:9][C:8]([Br:11])=[CH:7][C:3]=1[C:18]([OH:17])([CH3:19])[CH3:12]
Reaction #1904059
Yield 57.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:8][C:5]1[CH:6]=[CH:7][C:2]([NH:1][C:15](=[O:16])[CH2:14][Cl:13])=[C:3]([C:9]([OH:12])([CH3:10])[CH3:11])[CH:4]=1
Reaction #1904060
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:13][C:7]1([CH3:14])[C:6]2[CH:15]=[C:2]([C:19]3[N:20]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH:21]=[CH:22][CH:23]=3)[CH:3]=[CH:4][C:5]=2[NH:11][C:10](=[O:12])[CH2:9][O:8]1
Reaction #1904061
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]([N:8]1[C:9]([C:13]2[CH:14]=[CH:15][C:16]3[NH:22][C:21](=[O:23])[CH2:20][O:19][C:18]([CH3:25])([CH3:24])[C:17]=3[CH:26]=2)=[CH:10][CH:11]=[C:12]1[C:32]#[N:31])=[O:7])([CH3:4])([CH3:2])[CH3:3]
Reaction #1904062
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1([CH3:21])[C:8]2[CH:9]=[C:10]([C:13]3[N:17]([CH3:23])[C:16]([C:18]#[N:19])=[CH:15][CH:14]=3)[CH:11]=[CH:12][C:7]=2[NH:6][C:5](=[O:20])[CH2:4][O:3]1
Reaction #1904063
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1([CH3:21])[C:8]2[CH:9]=[C:10]([C:13]3[NH:17][C:16]([C:18]#[N:19])=[CH:15][CH:14]=3)[CH:11]=[CH:12][C:7]=2[NH:6][C:5](=[S:31])[CH2:4][O:3]1
Reaction #1904064
Yield 118.4%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][C:3]=1[CH:9]([OH:11])[CH3:10]
Reaction #1904065
Yield 86.8%DOI: 10.6084/m9.figshare.5104873.v1
[Br:8][C:5]1[CH:6]=[CH:7][C:2]([NH:1][C:14](=[O:15])[CH2:13][Cl:12])=[C:3]([CH:9]([OH:11])[CH3:10])[CH:4]=1
Reaction #1904066
DOI: 10.6084/m9.figshare.5104873.v1
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