p-Toluenesulfonic acid → HCID 20229920, compound
Reaction equation
[CH2:41]([Cl:42])[Cl:43].[N+:6](=[O:7])([O-:8])[c:9]1[c:10]([C:11](=[O:12])[OH:13])[cH:14][c:15]([O:18][c:19]2[c:20]([Cl:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[cH:16][cH:17]1.[O:1]1[CH2:2][CH2:3][CH:4]=[CH:5]1.[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[O:1]1[CH2:2][CH2:3][CH2:4][CH:5]1[O:13][C:11]([c:10]1[c:9]([N+:6](=[O:7])[O-:8])[cH:17][cH:16][c:15]([O:18][c:19]2[c:20]([Cl:29])[cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[cH:14]1)=[O:12]Participants
5
Sources & evidence
- ORD record
- ord-53eff4b7d4354b81941c09932ac4c3ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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