Ethyl isocyanate → HCID 178465326, compound
Reaction equation
[CH2:32]([CH3:33])[N:34]=[C:35]=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[NH2:1][CH2:2][CH:3]1[N:4]([C:8](=[O:9])[c:10]2[c:11]([Cl:31])[cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH3:18])[c:19]3[n:20][c:21]4[c:22]([nH:23]3)[cH:24][cH:25][c:26]([Cl:28])[cH:27]4)[cH:29][cH:30]2)[CH2:5][CH2:6][CH2:7]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[NH:1]([CH2:2][CH:3]1[N:4]([C:8](=[O:9])[c:10]2[c:11]([Cl:31])[cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH3:18])[c:19]3[n:20][c:21]4[c:22]([nH:23]3)[cH:24][cH:25][c:26]([Cl:28])[cH:27]4)[cH:29][cH:30]2)[CH2:5][CH2:6][CH2:7]1)[C:35]([NH:34][CH2:32][CH3:33])=[O:36]Participants
5
Sources & evidence
- ORD record
- ord-bd3e8682febd4c57866025d2f216ed40
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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