Toluene → HCID 66587060, compound
Reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:10][c:11]1[cH:12][c:13]([CH:14]=[O:15])[cH:16][cH:17][c:18]1[F:19].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1.[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([OH:26])(=[O:27])=[O:28])[cH:29][cH:30]1>>[N:1]([c:2]1[cH:3][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1)=[CH:14][c:13]1[cH:12][c:11]([Cl:10])[c:18]([F:19])[cH:17][cH:16]1Participants
5
Sources & evidence
- ORD record
- ord-7dc36fddb4a145b7a657c8be2cb39993
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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