Toluene → HCID 20076930, compound
Reaction equation
[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[NH2:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([Cl:16])[cH:14][cH:15]1.[c:17]1([N:23]=[C:24]=[S:25])[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[NH:1]([c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([Cl:16])[cH:14][cH:15]1)[C:24]([NH:23][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)=[S:25]Participants
5
Sources & evidence
- ORD record
- ord-66ca99a53f10434d9649501ce5bfc2ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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