p-Toluenesulfonic acid → HCID 10789604, compound
Reaction equation
[CH2:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[n:29]1[cH:30][cH:31][cH:32][cH:33]1.[CH:45]([Cl:46])([Cl:47])[Cl:48].[O:1]=[C:2]1[CH:3]=[CH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21.[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[O:1]=[C:2]1[CH:3]=[C:4]([c:33]2[n:29]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:30][cH:31][cH:32]2)[C:5](=[O:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21Participants
5
Sources & evidence
- ORD record
- ord-199e7d96d75046dcb53326015121c54e
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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