Benzyl isocyanate → HCID 66603896, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:20]2[c:21]([CH2:30][NH:31][CH2:32][CH3:33])[cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)[c:9]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:10][cH:11]1)=[O:34].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[N:42]=[C:43]=[O:44]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8](-[c:20]2[c:21]([CH2:30][N:31]([CH2:32][CH3:33])[C:43]([NH:42][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)=[O:44])[cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)[c:9]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:10][cH:11]1)=[O:34]Participants
3
Sources & evidence
- ORD record
- ord-c86f29899b9a4b9eb80ef90cc5fd33c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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