p-Toluenesulfonic acid → HCID 87627618, compound
Reaction equation
[C:44]([CH3:45])(=[O:46])[N:47]1[CH2:48][CH2:49][CH:50]([C:53](=[O:54])[OH:55])[CH2:51][CH2:52]1.[Cl:12][c:13]1[cH:14][c:15]([CH:20]2[CH2:21][NH:22][CH2:23][CH2:24][CH:25]2[N:26]([C:27]([c:28]2[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]2)=[O:42])[CH3:43])[cH:16][cH:17][c:18]1[CH3:19].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[Cl:12][c:13]1[cH:14][c:15]([CH:20]2[CH2:21][N:22]([C:53]([CH:50]3[CH2:49][CH2:48][N:47]([C:44]([CH3:45])=[O:46])[CH2:52][CH2:51]3)=[O:54])[CH2:23][CH2:24][CH:25]2[N:26]([C:27]([c:28]2[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]2)=[O:42])[CH3:43])[cH:16][cH:17][c:18]1[CH3:19]Participants
4
Sources & evidence
- ORD record
- ord-613c895a3fe64ea69d4708d49288b1bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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