Acetonitrile → 1-[4-[3-(4-Fluorophenyl)propyl-(2,2,2-trifluoroethyl)amino]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Reaction equation
[CH3:23][n:24]1[n:25][n:26][n:27][c:28]1-[c:29]1[cH:30][c:31]([NH:35][C:36]([O:37][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[O:38])[cH:32][cH:33][cH:34]1.[CH3:45][C:46]#[N:47].[NH2:1][CH:2]([CH:3]([CH2:4][N:5]([CH2:6][C:7]([F:8])([F:9])[F:10])[CH2:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[OH:21])[CH3:22]>>[NH:1]([CH:2]([CH:3]([CH2:4][N:5]([CH2:6][C:7]([F:8])([F:9])[F:10])[CH2:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[OH:21])[CH3:22])[C:36]([NH:35][c:31]1[cH:30][c:29](-[c:28]2[n:24]([CH3:23])[n:25][n:26][n:27]2)[cH:34][cH:33][cH:32]1)=[O:37]Participants
4
Sources & evidence
- ORD record
- ord-949e7b424beb4fd6ade330e9f315dbfb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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