Toluene → HCID 178504795, compound
Reaction equation
[CH3:12][Al:13]([CH3:14])[CH3:15].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH2:9])[cH:10][cH:11]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH:35]([Cl:36])([Cl:37])[Cl:38].[F:16][C:17]([c:18]1[cH:19][cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25]1)([F:26])[F:27]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([NH:9][C:22]([c:21]2[cH:20][cH:19][c:18]([C:17]([F:16])([F:26])[F:27])[cH:25][cH:24]2)=[NH:23])[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-c07cf1930da34dc2bdb061c3df98622f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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