Ethyl isocyanate → HCID 178465422, compound
Reaction equation
[CH2:41]([CH3:42])[N:43]=[C:44]=[O:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH:1][CH2:2][C:3]1([CH3:40])[O:4][c:5]2[c:6]([cH:16][c:17]([C:21](=[O:22])[N:23]([CH:24]3[CH2:25][N:26]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:27][CH2:28][CH2:29]3)[CH:37]([CH3:38])[CH3:39])[c:18]([CH3:20])[cH:19]2)[N:7]([CH2:10][CH2:11][CH2:12][CH2:13][O:14][CH3:15])[C:8]1=[O:9]>>[O:1]([CH2:2][C:3]1([CH3:40])[O:4][c:5]2[c:6]([cH:16][c:17]([C:21](=[O:22])[N:23]([CH:24]3[CH2:25][N:26]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:27][CH2:28][CH2:29]3)[CH:37]([CH3:38])[CH3:39])[c:18]([CH3:20])[cH:19]2)[N:7]([CH2:10][CH2:11][CH2:12][CH2:13][O:14][CH3:15])[C:8]1=[O:9])[C:44]([NH:43][CH2:41][CH3:42])=[O:45]Participants
4
Sources & evidence
- ORD record
- ord-cc274ed96e7f4acda34e9a759db35270
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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