4-Chlorophenyl Isocyanate → HCID 59569062, compound
Reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:27][c:28]1[cH:29][cH:30][c:31]([N:34]=[C:35]=[O:36])[cH:32][cH:33]1.[NH2:1][CH2:2][CH2:3][CH2:4][N:5]1[C:6](=[O:26])[S:7][CH2:8][C:9]([c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:23])[c:16](-[c:18]4[o:19][cH:20][cH:21][cH:22]4)[n:17]3)[cH:24][cH:25]2)=[N:10]1>>[NH:1]([CH2:2][CH2:3][CH2:4][N:5]1[C:6](=[O:26])[S:7][CH2:8][C:9]([c:11]2[cH:12][c:13]3[c:14]([n:15]([CH3:23])[c:16](-[c:18]4[o:19][cH:20][cH:21][cH:22]4)[n:17]3)[cH:24][cH:25]2)=[N:10]1)[C:35]([NH:34][c:31]1[cH:30][cH:29][c:28]([Cl:27])[cH:33][cH:32]1)=[O:36]Participants
5
Sources & evidence
- ORD record
- ord-1ace1bcd92ee49fcb96458b75ba88a4a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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