p-Toluenesulfonic acid → HCID 22467418, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][C:8]([c:9]2[c:10]([NH:18][CH:19]([CH2:20][OH:21])[CH2:22][OH:23])[cH:11][cH:12][c:13]([N+:15](=[O:16])[O-:17])[cH:14]2)=[O:24])[cH:25][cH:26][c:27]1[O:28][CH3:29].[CH3:30][O:31][C:32]([CH3:33])([CH3:34])[O:35][CH3:36].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:48][CH2:49][Cl:50].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][C:8]([c:9]2[c:10]([NH:18][CH:19]3[CH2:20][O:21][C:32]([CH3:33])([CH3:34])[O:23][CH2:22]3)[cH:11][cH:12][c:13]([N+:15](=[O:16])[O-:17])[cH:14]2)=[O:24])[cH:25][cH:26][c:27]1[O:28][CH3:29]Participants
6
Sources & evidence
- ORD record
- ord-180c93d1d27c428dad4eec71425849b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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