Chloroform → 1,1-dimethylethyl (2-{3-(4-{[(dimethylamino)carbonyl]amino}phenyl)-4-[2-(3-formylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrazol-1-yl}ethyl)methylcarbamate
Reaction equation
[CH3:1][N:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][n:14]([CH2:34][CH2:35][N:36]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH3:44])[cH:15][c:16]2-[c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[nH:23][c:24](-[c:26]2[cH:27][c:28]([CH2:32][OH:33])[cH:29][cH:30][cH:31]2)[cH:25]3)[cH:10][cH:11]1)[CH3:45].[Cl:46][CH:47]([Cl:48])[Cl:49].[O:50]=[Mn:51]=[O:52]>>[CH3:1][N:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][n:14]([CH2:34][CH2:35][N:36]([C:37]([O:38][C:39]([CH3:40])([CH3:41])[CH3:42])=[O:43])[CH3:44])[cH:15][c:16]2-[c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[nH:23][c:24](-[c:26]2[cH:27][c:28]([CH:32]=[O:33])[cH:29][cH:30][cH:31]2)[cH:25]3)[cH:10][cH:11]1)[CH3:45]Participants
4
Sources & evidence
- ORD record
- ord-607755e4b4c944fd8b0b693fec3adcb5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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