Acetonitrile → 1-[4-[Ethyl-[3-(4-fluorophenyl)propyl]amino]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Reaction equation
[CH3:20][n:21]1[n:22][n:23][n:24][c:25]1-[c:26]1[cH:27][c:28]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[cH:29][cH:30][cH:31]1.[CH3:42][C:43]#[N:44].[NH2:1][CH:2]([CH:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]1)[CH2:16][CH3:17])[OH:18])[CH3:19]>>[NH:1]([CH:2]([CH:3]([CH2:4][N:5]([CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([F:15])[cH:13][cH:14]1)[CH2:16][CH3:17])[OH:18])[CH3:19])[C:33]([NH:32][c:28]1[cH:27][c:26](-[c:25]2[n:21]([CH3:20])[n:22][n:23][n:24]2)[cH:31][cH:30][cH:29]1)=[O:34]Participants
4
Sources & evidence
- ORD record
- ord-1333367c48614141a411d8e437651903
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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