Toluene → Methanesulfonic Acid

HRID 2336622Notes

Reaction equation

HRID 2336622 reaction equation
[CH3:1][O:2][CH:3]([CH2:4][S:5](=[O:6])(=[O:7])[CH2:8][CH2:9][CH2:10][O:11][S:12](=[O:13])(=[O:14])[CH3:15])[CH2:16][O:17][CH2:18][CH2:19][CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH2:25][CH2:26][CH2:27][CH:28]([CH2:29][CH2:30][CH2:31][CH:32]([CH3:33])[CH3:34])[CH3:35])[CH3:36])[CH3:37].[CH3:38][N:39]([CH3:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][O:2][CH:3]([CH2:4][S:5](=[O:6])(=[O:7])[CH2:8][CH2:9][CH2:10][N+:39]([CH3:38])([CH3:40])[CH3:41])[CH2:16][O:17][CH2:18][CH2:19][CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH2:25][CH2:26][CH2:27][CH:28]([CH2:29][CH2:30][CH2:31][CH:32]([CH3:33])[CH3:34])[CH3:35])[CH3:36])[CH3:37].[O:11]=[S:12](=[O:13])([OH:14])[CH3:15]

Participants

5

Sources & evidence

ORD record
ord-6dcae2e993274e4787ca594751a193e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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