p-Toluenesulfonic acid → HCID 173406633, compound
Reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:56][CH2:57][Cl:58].[N+:34](=[O:35])([O-:36])[c:37]1[cH:38][cH:39][c:40]([CH2:41][O:42][C:43](=[O:44])[CH:45]([C:46](=[O:47])[Cl:48])[c:49]2[cH:50][s:51][cH:52][cH:53]2)[cH:54][cH:55]1.[NH2:12][C:13]1([S:25][CH3:26])[C:14](=[O:24])[N:15]([C:20]([CH3:21])([CH3:22])[CH3:23])[CH:16]1[SiH:17]([CH3:18])[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>>[NH:12]([C:13]1([S:25][CH3:26])[C:14](=[O:24])[N:15]([C:20]([CH3:21])([CH3:22])[CH3:23])[CH:16]1[SiH:17]([CH3:18])[CH3:19])[C:46]([CH:45]([C:43]([O:42][CH2:41][c:40]1[cH:39][cH:38][c:37]([N+:34](=[O:35])[O-:36])[cH:55][cH:54]1)=[O:44])[c:49]1[cH:50][s:51][cH:52][cH:53]1)=[O:47]Participants
6
Sources & evidence
- ORD record
- ord-69261ecc6c7445718b177f0f63a88099
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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