Ethyl isocyanate → HCID 178465291, compound
Reaction equation
[CH2:42]([CH3:43])[N:44]=[C:45]=[O:46].[NH2:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][N:15]3[C:16](=[O:41])[CH:17]([NH:26][C:27]([CH2:28][C:29]([CH3:30])([CH3:31])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:18][CH2:19][c:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][N:15]3[C:16](=[O:41])[CH:17]([NH:26][C:27]([CH2:28][C:29]([CH3:30])([CH3:31])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[CH2:18][CH2:19][c:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[cH:12][cH:13]2)[cH:4][cH:5][cH:6][cH:7]1)[C:45]([NH:44][CH2:42][CH3:43])=[O:46]Participants
3
Sources & evidence
- ORD record
- ord-f8c665f5432848579b506423ebc9d6a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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