Methanol → 2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-(4-piperazin-1-ylpiperidin-1-yl)butane-1,4-dione
Reaction equation
[CH3:60][OH:61].[NH2:1][c:2]1[c:3]([Cl:59])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][N:19]([C:22]([O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)=[O:31])[CH2:20][CH2:21]3)[CH2:14][CH2:15]2)[CH2:32][C:33]([N:34]2[CH2:35][CH2:36][CH:37]([N:40]3[C:41](=[O:51])[NH:42][c:43]4[c:44]([cH:47][cH:48][cH:49][cH:50]4)[CH2:45][CH2:46]3)[CH2:38][CH2:39]2)=[O:52])[cH:53][c:54]1[C:55]([F:56])([F:57])[F:58]>>[NH2:1][c:2]1[c:3]([Cl:59])[cH:4][c:5]([CH2:6][CH:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[CH2:14][CH2:15]2)[CH2:32][C:33]([N:34]2[CH2:35][CH2:36][CH:37]([N:40]3[C:41](=[O:51])[NH:42][c:43]4[c:44]([cH:47][cH:48][cH:49][cH:50]4)[CH2:45][CH2:46]3)[CH2:38][CH2:39]2)=[O:52])[cH:53][c:54]1[C:55]([F:56])([F:57])[F:58]Participants
3
Sources & evidence
- ORD record
- ord-72c15a0f2a134289b83ff0f984f3f115
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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