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Dataset #87

[OH:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][C:43]=1[CH:49]=[O:50]
Reaction #452408
DOI: 10.6084/m9.figshare.5104873.v1
[OH:10][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][C:2]=1[OH:1])[CH:6]=[O:7]
Reaction #452409
DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]([C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[CH:6]=[CH:5][C:4]=1[OH:15])=[O:2]
Reaction #452410
DOI: 10.6084/m9.figshare.5104873.v1
[CH:34]1[C:33]([CH2:23][C:15]2[CH:16]=[CH:17][C:18]([N:19]=[C:20]=[O:21])=[CH:2][CH:22]=2)=[CH:32][CH:31]=[C:36]([N:37]=[C:38]=[O:39])[CH:35]=1
Reaction #452411
DOI: 10.6084/m9.figshare.5104873.v1
[NH:19]=[C:11]=[NH:10]
Reaction #452412
DOI: 10.6084/m9.figshare.5104873.v1
[NH:19]=[C:11]=[NH:10]
Reaction #452413
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([NH:11][C:12]1[CH:13]=[C:14]([OH:18])[CH:15]=[CH:16][CH:17]=1)[CH2:2][CH2:3][CH3:4]
Reaction #452414
Yield 57.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:5]([C:6]1[CH:7]=[C:8]([OH:12])[CH:9]=[CH:10][CH:11]=1)[CH2:14][CH2:15][OH:16])[CH2:2][CH2:3][CH3:4]
Reaction #452415
Yield 54.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([NH:14][C:15]1[CH:16]=[C:17]([OH:21])[CH:18]=[CH:19][CH:20]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7]
Reaction #452416
Yield 62.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]([C:9]1[CH:10]=[C:11]([OH:15])[CH:12]=[CH:13][CH:14]=1)[CH2:17][CH2:18][OH:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7]
Reaction #452417
Yield 54.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O-:8])(=[O:7])[CH2:2][CH2:3][C:4]([CH3:6])=[O:5]
Reaction #452418
DOI: 10.6084/m9.figshare.5104873.v1
[CH:81]1[C:82](=[O:83])[NH:80][C:79](=[O:4])[N:78]([C@@H:76]2[O:77][C@H:73]([CH2:72][O:71][P:59]([O:62][P:63]([O:66][P:67]([OH:69])([OH:70])=[O:68])([OH:65])=[O:64])([OH:60])=[O:61])[C@@H:74]([OH:89])[CH2:75]2)[CH:88]=1
Reaction #452419
DOI: 10.6084/m9.figshare.5104873.v1
[F:38][C:3]1[CH:4]=[C:5]([NH:8][C:9]2[C:18]3[C:13](=[CH:14][C:15]([O:21][CH3:22])=[C:16]([O:19][CH3:20])[CH:17]=3)[N:12]=[CH:11][N:10]=2)[CH:6]=[CH:7][CH:2]=1
Reaction #452420
Yield 98.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:6]([OH:8])(=[O:7])[CH:5]([CH3:4])[OH:9]
Reaction #452421
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:9][N:10]([CH3:11])[CH2:2][CH2:3][CH2:4][C:5](=[O:7])[CH3:6]
Reaction #452422
DOI: 10.6084/m9.figshare.5104873.v1
[F:17][C:18]1[CH:26]=[CH:25][C:21]([C:22]([NH:8][C:7]2[CH:9]=[CH:10][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=2)=[O:23])=[CH:20][CH:19]=1
Reaction #452423
Yield 91.3%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:19]=[CH:18][C:5]([C:6]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=2)=[O:7])=[CH:4][CH:3]=1
Reaction #452424
Yield 79.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:17]=[CH:16][C:5]([C:6]([N:8]([C:9]2[CH:14]=[CH:13][C:12]([NH2:15])=[CH:11][CH:10]=2)[NH2:18])=[O:7])=[CH:4][CH:3]=1
Reaction #452425
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:16]([N:1]1[CH:5]=[C:4]([CH2:6][CH2:7][OH:8])[CH:3]=[N:2]1)([CH3:18])[CH3:17]
Reaction #452426
Yield 26.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([NH:3][C:4]([NH:14][CH2:13][CH2:12][CH2:11][N:6]1[CH2:10][CH2:9][CH2:8][CH2:7]1)=[O:5])[CH3:2]
Reaction #452427
Yield 96.4%DOI: 10.6084/m9.figshare.5104873.v1
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