4-Chlorophenyl Isocyanate → beta-Oxo-alpha-(4-chlorophenyl carbamoyl)-beta-(2-pyrrolyl)propionitrile
Reaction equation
[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[Cl:18][c:19]1[cH:20][cH:21][c:22]([N:25]=[C:26]=[O:27])[cH:23][cH:24]1.[nH:1]1[c:2]([C:6](=[O:7])[CH2:8][C:9]#[N:10])[cH:3][cH:4][cH:5]1>>[nH:1]1[c:2]([C:6](=[O:7])[CH:8]([C:9]#[N:10])[C:26]([NH:25][c:22]2[cH:21][cH:20][c:19]([Cl:18])[cH:24][cH:23]2)=[O:27])[cH:3][cH:4][cH:5]1Participants
5
Sources & evidence
- ORD record
- ord-a4b3284c39bc41179761d86dd34be249
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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