Isopropyl isocyanate → HCID 178457918, compound
Reaction equation
[CH:42]([CH3:43])([CH3:44])[N:45]=[C:46]=[O:47].[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:46]([NH:45][CH:42]([CH3:43])[CH3:44])=[O:47]Participants
3
Sources & evidence
- ORD record
- ord-d226753b723541acaf2c355be7d30ff0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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