Ethyl isocyanate → HCID 11238478, compound
Reaction equation
[CH2:39]([CH3:40])[N:41]=[C:42]=[O:43].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][CH:20]([n:23]4[c:24](=[O:32])[nH:25][c:26]5[c:27]4[cH:28][cH:29][cH:30][cH:31]5)[CH2:21][CH2:22]3)[cH:14][cH:15]2)[n:9]1>>[NH:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][CH:20]([n:23]4[c:24](=[O:32])[nH:25][c:26]5[c:27]4[cH:28][cH:29][cH:30][cH:31]5)[CH2:21][CH2:22]3)[cH:14][cH:15]2)[n:9]1)[C:42]([NH:41][CH2:39][CH3:40])=[O:43]Participants
4
Sources & evidence
- ORD record
- ord-9b13464b7d4540cfa5f70b6929fbb854
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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