p-Toluenesulfonic acid → HCID 66618322, compound
Reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][C:38]([Cl:39])=[O:40].[CH:12]1([O:17][C:18]([CH:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[NH2:28])=[O:29])[CH2:13][CH2:14][CH2:15][CH2:16]1.[Cl:41][CH2:42][Cl:43].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH:12]1([O:17][C:18]([CH:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[NH:28][C:38]([CH3:37])=[O:40])=[O:29])[CH2:13][CH2:14][CH2:15][CH2:16]1Participants
6
Sources & evidence
- ORD record
- ord-207f04ebe090400a9d7e790d9dc3f59c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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