p-Toluenesulfonic acid → HCID 89176301, compound
Reaction equation
[F:34][C:35]([c:36]1[cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[NH2:12][CH:13]1[CH:14]([c:26]2[cH:27][c:28]([CH3:33])[c:29]([Cl:32])[cH:30][cH:31]2)[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:12]([CH:13]1[CH:14]([c:26]2[cH:27][c:28]([CH3:33])[c:29]([Cl:32])[cH:30][cH:31]2)[CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[C:39]([c:38]1[cH:37][c:36]([C:35]([F:34])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]1)=[O:40]Participants
4
Sources & evidence
- ORD record
- ord-ffcb5a4e0da64661af8785b514fe8c98
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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