Methanol → 2,4,6-Trimethylbenzene-1-sulfonate

HRID 2150451Notes

Reaction equation

HRID 2150451 reaction equation
[CH3:44][OH:45].[Cl:38][CH2:39][Cl:40].[Cl:41][CH2:42][Cl:43].[NH2:16][c:17]1[n:18][c:19]([CH3:24])[n:20][c:21]([CH3:23])[cH:22]1.[OH2:15].[c:1]1([CH3:14])[c:2]([S:9](=[O:10])(=[O:11])[O:12][NH2:13])[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1.[c:25]1([CH3:26])[cH:27][c:28]([CH3:29])[cH:30][c:31]([CH3:32])[c:33]1[S:34]([O-:35])(=[O:36])=[O:37]>>[NH2:13][n+:20]1[c:19]([CH3:24])[n:18][c:17]([NH2:16])[cH:22][c:21]1[CH3:23].[c:1]1([CH3:14])[c:2]([S:9](=[O:10])(=[O:11])[O-:12])[c:3]([CH3:8])[cH:4][c:5]([CH3:7])[cH:6]1

Participants

8

Reactant 6

HCID 887MethanolHCID 962WaterHCID 6344Dichloromethane2×HCID 680392,6-Dimethyl-4-aminopyrimidineHCID 38762462,4,6-Trimethylbenzene-1-sulfonateHCID 11830845O-(2,4,6-Trimethylbenzenesulfonyl)hydroxylamine

Product 2

HCID 38762462,4,6-Trimethylbenzene-1-sulfonateHCID 22220861HCID 22220861, compound

Sources & evidence

ORD record
ord-255b8e5581b943fe8a8c3c5814985d4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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