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Dataset #375

[C:1]([O:5][CH2:6][CH2:7][O:8][C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1)(=[O:4])[CH:2]=[CH2:3]
Reaction #1726653
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14]
Reaction #1726654
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:12][C:13]1[CH:18]=[C:17]([N:19]2[N:23]=[C:22]3[C:21]([CH:27]=[CH:26][CH:25]=[CH:24]3)=[N:20]2)[C:16]([OH:29])=[C:15]([CH2:30][CH:35]=[CH2:36])[CH:14]=1
Reaction #1726655
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][CH2:2][C:3]([NH:5][CH2:6][C:7]([NH:9][CH2:10][C:11]([OH:13])=[O:12])=[O:8])=[O:4]
Reaction #1726656
Yield 653.3%DOI: 10.6084/m9.figshare.5104873.v1
[NH:11]([C:1]([O:3][CH2:4][C:5]1[CH:6]=[CH:7][CH:8]=[CH:9][CH:10]=1)=[O:2])[C@H:12]([C:18]([OH:20])=[O:19])[CH2:13][CH2:14][CH2:15][CH2:16][NH2:17]
Reaction #1726657
DOI: 10.6084/m9.figshare.5104873.v1
[P:1]([Cl:6])([Cl:5])([O-:3])=[O:2]
Reaction #1726658
Yield 60.0%DOI: 10.6084/m9.figshare.5104873.v1
[P:15]([O-:19])([O-:18])([O-:17])=[O:16]
Reaction #1726659
DOI: 10.6084/m9.figshare.5104873.v1
[C:10]([O-:14])(=[O:13])[CH2:11][CH3:12]
Reaction #1726660
DOI: 10.6084/m9.figshare.5104873.v1
[C:16]1([C:2]2[C:3]3[C:8]([CH:9]=[C:10]4[C:15]=2[CH:14]=[CH:13][CH:12]=[CH:11]4)=[CH:7][CH:6]=[CH:5][CH:4]=3)[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1
Reaction #1726661
Yield 92.0%DOI: 10.6084/m9.figshare.5104873.v1
[I:25][C:14]1[C:15]2[C:20]([C:7]([C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)=[C:8]3[C:13]=1[CH:12]=[CH:11][CH:10]=[CH:9]3)=[CH:19][CH:18]=[CH:17][CH:16]=2
Reaction #1726662
Yield 117.3%DOI: 10.6084/m9.figshare.5104873.v1
[Br:22][C:23]1[CH:28]=[CH:27][C:26]([C:29]2[CH:34]=[CH:33][C:32]([C:2]3[C:3]4[C:8]([C:9]([C:16]5[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=5)=[C:10]5[C:15]=3[CH:14]=[CH:13][CH:12]=[CH:11]5)=[CH:7][CH:6]=[CH:5][CH:4]=4)=[CH:31][CH:30]=2)=[CH:25][CH:24]=1
Reaction #1726663
Yield 40.1%DOI: 10.6084/m9.figshare.5104873.v1
[C:11]1([C:14]2[C:15]3[C:20](=[CH:19][CH:18]=[CH:17][CH:16]=3)[C:21]([C:28]3[CH:29]=[CH:30][C:31]([C:55]4[CH:56]=[CH:57][C:52]([N:51]([C:58]5[CH:59]=[CH:60][CH:61]=[CH:62][CH:63]=5)[C:50]5[CH:64]=[CH:65][C:47]([C:44]6[CH:45]=[CH:46][C:41]([N:40]([C:68]7[CH:67]=[CH:70][CH:74]=[CH:72][CH:73]=7)[C:34]7[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=7)=[CH:42][CH:43]=6)=[CH:48][CH:49]=5)=[CH:53][CH:54]=4)=[CH:32][CH:33]=3)=[C:22]3[C:27]=2[CH:26]=[CH:25][CH:24]=[CH:23]3)[CH:12]=[CH:13][CH:8]=[CH:9][CH:10]=1
Reaction #1726664
Yield 50.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:22][C:23]1[CH:28]=[CH:27][C:26]([C:2]2[C:3]3[C:8]([C:9]([C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)=[C:10]4[C:15]=2[CH:14]=[CH:13][CH:12]=[CH:11]4)=[CH:7][CH:6]=[CH:5][CH:4]=3)=[CH:25][CH:24]=1
Reaction #1726665
Yield 52.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:17][C:14]1[CH:15]=[CH:16][C:11]([S:8]([NH:7][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)(=[O:10])=[O:9])=[CH:12][CH:13]=1
Reaction #1726666
Yield 70.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]1[C:9]2[C:8]3[CH:10]=[CH:11][CH:12]=[CH:13][C:7]=3[S:6](=[O:14])[C:5]=2[CH:4]=[CH:3][CH:2]=1
Reaction #1726667
DOI: 10.6084/m9.figshare.5104873.v1
[I-:1]
Reaction #1726668
Yield 84.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br-:22]
Reaction #1726669
DOI: 10.6084/m9.figshare.5104873.v1
[Br:10][CH2:8][C:7]([C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)=[CH2:9]
Reaction #1726670
Yield 46.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O:2][CH3:1])(=[O:4])[C@@H:5]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[OH:6]
Reaction #1726671
Yield 88.5%DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O:2][CH3:1])(=[O:4])[C@@H:5]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[OH:6]
Reaction #1726672
Yield 75.2%DOI: 10.6084/m9.figshare.5104873.v1
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