p-Toluenesulfonic acid → HCID 18620267, compound
Reaction equation
[CH2:1]1[CH2:2][CH2:3][CH2:4][C:5](=[c:7]2[cH:8][c:9]([C:24]([CH3:25])([CH3:26])[CH3:27])[c:10]3[c:11]([c:17]2=[C:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[CH:12]([OH:16])[C:13](=[O:15])[O:14]3)[CH2:6]1.[Cl:53][CH2:54][Cl:55].[NH:39]([CH:40]1[CH2:41][CH2:42][N:43]([CH3:44])[C:45]([CH3:46])([CH3:47])[CH:48]1[CH3:49])[C:50]([CH3:51])=[O:52].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[CH2:1]1[CH2:2][CH2:3][CH2:4][C:5](=[c:7]2[cH:8][c:9]([C:24]([CH3:25])([CH3:26])[CH3:27])[c:10]3[c:11]([c:17]2=[C:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:12](=[O:16])[C:13](=[O:15])[O:14]3)[CH2:6]1Participants
5
Sources & evidence
- ORD record
- ord-bc9b2e62004e4452a755e1dd6ee177c9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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