p-Toluenesulfonic acid → HCID 178495337, compound
Reaction equation
[CH2:12]([NH:13][C:17]([CH:18]([CH2:19][CH:20]([CH:21]([CH2:22][CH:23]([CH2:24][c:25]1[cH:26][c:27]([O:33][CH2:34][CH2:35][CH2:36][O:37][CH3:38])[c:28]([O:31][CH3:32])[cH:29][cH:30]1)[CH:39]([CH3:40])[CH3:41])[NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[OH:50])[CH3:51])=[O:52])[CH2:14][CH2:15][CH3:16].[CH:53]([Cl:54])([Cl:55])[Cl:56].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[C:17]1(=[O:52])[CH:18]([CH3:51])[CH2:19][CH:20]([CH:21]([CH2:22][CH:23]([CH2:24][c:25]2[cH:26][c:27]([O:33][CH2:34][CH2:35][CH2:36][O:37][CH3:38])[c:28]([O:31][CH3:32])[cH:29][cH:30]2)[CH:39]([CH3:40])[CH3:41])[NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[O:50]1Participants
4
Sources & evidence
- ORD record
- ord-6e85b25353bd427bbdc73ab6bae4b050
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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