Acetonitrile → 1-[4-[[3-[(4-Fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Reaction equation
[CH3:45][C:46]#[N:47].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([CH2:13][CH:14]3[CH:15]([NH2:20])[CH2:16][O:17][CH2:18][CH2:19]3)[CH2:10][CH2:11][CH2:12]2)[cH:21][cH:22]1.[c:23]1([O:29][C:30](=[O:24])[NH:31][c:32]2[cH:33][c:34](-[c:38]3[n:39][n:40][n:41][n:42]3[CH3:43])[cH:35][cH:36][cH:37]2)[cH:25][cH:26][cH:27][cH:28][cH:44]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([CH2:13][CH:14]3[CH:15]([NH:20][C:30](=[O:29])[NH:31][c:32]4[cH:33][c:34](-[c:38]5[n:39][n:40][n:41][n:42]5[CH3:43])[cH:35][cH:36][cH:37]4)[CH2:16][O:17][CH2:18][CH2:19]3)[CH2:10][CH2:11][CH2:12]2)[cH:21][cH:22]1Participants
4
Sources & evidence
- ORD record
- ord-9f163f5d0ee24cf698b2d34a8bc09862
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)