Phenyl Isothiocyanate → HCID 54253572, compound
Reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[c:1]1([C:7](=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][OH:14])[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:21]1([N:27]=[C:28]=[S:29])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:1]1([C:7](=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][O:14][C:28]([NH:27][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[S:29])[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-8c0918c40e1d481783619c067813f154
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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