4-Methylphenyl isocyanate → HCID 57445329, compound
Reaction equation
[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:17](=[O:18])[NH2:19])[nH:10][c:11]3[cH:12][n:13][cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[c:20]1([CH3:29])[cH:21][cH:22][c:23]([N:26]=[C:27]=[O:28])[cH:24][cH:25]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:17](=[O:18])[NH2:19])[nH:10][c:11]3[cH:12][n:13][cH:14][cH:15][c:16]23)[cH:6][cH:7]1)[C:27]([NH:26][c:23]1[cH:22][cH:21][c:20]([CH3:29])[cH:25][cH:24]1)=[O:28]Participants
3
Sources & evidence
- ORD record
- ord-ba6e672d837240dd9f22e1db0a59d8a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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