2,6-Diisopropylphenyl isocyanate → HCID 12972747, compound
Reaction equation
[CH:26]([CH3:27])([CH3:28])[c:29]1[c:30]([N:38]=[C:39]=[O:40])[c:31]([CH:35]([CH3:36])[CH3:37])[cH:32][cH:33][cH:34]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][c:12]2[cH:13][cH:14][c:15]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:16][cH:17]2)[cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([c:12]2[cH:13][cH:14][c:15]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:16][cH:17]2)[C:39]([NH:38][c:30]2[c:29]([CH:26]([CH3:27])[CH3:28])[cH:34][cH:33][cH:32][c:31]2[CH:35]([CH3:36])[CH3:37])=[O:40])[cH:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-5e9ff9c675bd4db4afa5dd7bd8ff8afa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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