Methyl iodide → tert-butyl N-[6-[[(5-ethyl-2-fluoro-4-methoxyphenyl)-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]amino]isoquinolin-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([c:21]3[cH:22][c:23]([CH2:29][CH3:30])[c:24]([OH:28])[cH:25][c:26]3[F:27])[c:31]3[n:32]([CH3:42])[n:33][c:34](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:16][cH:17][c:18]12)[C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[CH3:50][I:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[n:10][cH:11][cH:12][c:13]2[cH:14][c:15]([NH:19][CH:20]([c:21]3[cH:22][c:23]([CH2:29][CH3:30])[c:24]([O:28][CH3:50])[cH:25][c:26]3[F:27])[c:31]3[n:32]([CH3:42])[n:33][c:34](-[c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[n:35]3)[cH:16][cH:17][c:18]12)[C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-5f78871cebeb4a66b12f16841b51991d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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