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Dataset #542

[C:1]1([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([CH3:13])[N+:8]=2[O-:22])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
Reaction #2439921
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([CH2:13][O:18][C:16](=[O:17])[CH3:15])[N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
Reaction #2439922
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([C:7]2[CH:12]=[CH:11][CH:10]=[C:9]([CH2:13][OH:14])[N:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
Reaction #2439923
Yield 81.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:16]([O:9][C:8]([C:6]1[CH:7]=[C:2]([Br:1])[CH:3]=[N:4][CH:5]=1)=[O:10])[CH3:17]
Reaction #2439924
DOI: 10.6084/m9.figshare.5104873.v1
[F:16][C:17]1[CH:22]=[CH:21][C:20]([C:2]2[CH:3]=[N:4][CH:5]=[C:6]([CH2:8][OH:9])[CH:7]=2)=[CH:19][CH:18]=1
Reaction #2439925
Yield 84.4%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:13]=[C:12]([CH2:14][Br:15])[CH:11]=[CH:10][N:9]=2)=[CH:6][CH:7]=1
Reaction #2439926
Yield 88.7%DOI: 10.6084/m9.figshare.5104873.v1
[P:10]([O-:14])([O-:13])([O-:12])=[O:11]
Reaction #2439927
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:14]([C:11]1[CH:12]=[CH:13][C:8]([C:5]2[CH:6]=[CH:7][C:2]([C:19]3[CH:20]=[CH:21][CH:22]=[C:17]([F:16])[CH:18]=3)=[CH:3][CH:4]=2)=[CH:9][CH:10]=1)[CH3:15]
Reaction #2439928
Yield 145.4%DOI: 10.6084/m9.figshare.5104873.v1
[C:45]([OH:44])(=[O:47])[CH2:46][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][C:1]([OH:20])=[O:19]
Reaction #2439929
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]=[CH:2]/[CH:3]=[CH:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10][CH3:11]
Reaction #2439930
Yield 20.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:14]=[CH:13][C:12]2[C:11]3[C:6](=[CH:7][C:8]([Br:15])=[CH:9][CH:10]=3)[C:5]3([C:18]4[CH:17]=[CH:8][CH:7]=[CH:6][C:5]=4[C:4]4[C:3]3=[CH:2][CH:14]=[CH:13][CH:12]=4)[C:4]=2[CH:3]=1
Reaction #2439931
Yield 60.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:4]1[C:3]2[CH2:2][C:14]3[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=3)[C:8]=2[CH:7]=[CH:6][CH:5]=1
Reaction #2439932
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([OH:6])(=[O:5])[C:2]([CH3:4])=[CH2:3]
Reaction #2439933
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([CH2:7][CH2:8][C:9]([O:11][CH:13]2[CH2:17][CH2:16][O:15][C:14]2=[O:18])=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
Reaction #2439934
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:6][C@H:5]([C:4]([NH:9][C@H:10]([C:16]([OH:18])=[O:17])[CH2:11][CH2:12][C:13](=[O:15])[NH2:14])=[O:3])[CH3:7]
Reaction #2439935
DOI: 10.6084/m9.figshare.5104873.v1
[N:39]1([C:36]2[CH:35]=[CH:34][C:33]([NH:32][CH:2]=[C:3]3[C:11]4[C:6](=[CH:7][CH:8]=[C:9]([C:12]([C:14]5[CH:15]=[C:16]([NH:20][C:21]([C:23]6[N:24]([CH2:29][CH3:30])[N:25]=[C:26]([CH3:28])[CH:27]=6)=[O:22])[CH:17]=[CH:18][CH:19]=5)=[O:13])[CH:10]=4)[NH:5][C:4]3=[O:31])=[CH:38][CH:37]=2)[CH2:44][CH2:43][O:42][CH2:41][CH2:40]1
Reaction #2439936
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:4]1[CH:5]=[C:6]([CH:19]=[CH:20][CH:21]=1)[C:7]([C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[NH:14][C:13](=[O:18])[CH2:12]2)=[O:8]
Reaction #2439937
DOI: 10.6084/m9.figshare.5104873.v1
[O:31]=[C:26]1[CH2:25][C:24]2[C:28](=[CH:29][CH:30]=[C:22]([C:20]([C:19]3[CH:18]=[C:17]([NH:16][C:8]([C:7]4[N:3]([CH2:1][CH3:2])[N:4]=[C:5]([CH3:11])[CH:6]=4)=[O:10])[CH:34]=[CH:33][CH:32]=3)=[O:21])[CH:23]=2)[NH:27]1
Reaction #2439938
Yield 76.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:31][CH:30]=[C:10]1[C:9]2[C:4](=[CH:5][CH:6]=[C:7]([C:11]([C:13]3[CH:14]=[C:15]([NH:19][C:20]([C:22]4[N:23]([CH2:28][CH3:29])[N:24]=[C:25]([CH3:27])[CH:26]=4)=[O:21])[CH:16]=[CH:17][CH:18]=3)=[O:12])[CH:8]=2)[NH:3][C:2]1=[O:1]
Reaction #2439939
Yield 57.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:32][N:33]1[CH2:34][CH2:35][N:36]([C:39]2[CH:44]=[CH:43][C:42]([NH:45][CH:2]=[C:3]3[C:11]4[C:6](=[CH:7][CH:8]=[C:9]([C:12]([C:14]5[CH:15]=[C:16]([NH:20][C:21]([C:23]6[N:24]([CH2:29][CH3:30])[N:25]=[C:26]([CH3:28])[CH:27]=6)=[O:22])[CH:17]=[CH:18][CH:19]=5)=[O:13])[CH:10]=4)[NH:5][C:4]3=[O:31])=[CH:41][CH:40]=2)[CH2:37][CH2:38]1
Reaction #2439940
Yield 57.0%DOI: 10.6084/m9.figshare.5104873.v1
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