p-Toluenesulfonic acid → HCID 86616712, compound
Reaction equation
[CH:29]([O:30][CH2:31][CH3:32])([O:33][CH2:34][CH3:35])[O:36][CH2:37][CH3:38].[NH2:1][c:2]1[c:3]([S:23](=[O:24])[C:25]([F:26])([F:27])[F:28])[c:4]([C:21]#[N:22])[c:5]([C:19]#[N:20])[n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[cH:48][cH:49]1>>[N:1]([c:2]1[c:3]([S:23](=[O:24])[C:25]([F:26])([F:27])[F:28])[c:4]([C:21]#[N:22])[c:5]([C:19]#[N:20])[n:6]1-[c:7]1[c:8]([Cl:18])[cH:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]1[Cl:13])=[CH:29][O:30][CH2:31][CH3:32]Participants
4
Sources & evidence
- ORD record
- ord-f332f774c846493281635272d9d13f06
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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