Carbon Tetrachloride → toluene-4-thiosulfonic acid S-(2-tert-butyl-4-dimethylsulfamoyloxy-5-methyl-phenyl) ester

HRID 174536Notes

Reaction equation

HRID 174536 reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[c:23]1[c:24]([SH:37])[cH:25][c:26]([CH3:36])[c:27]([O:29][S:30]([N:31]([CH3:32])[CH3:33])(=[O:34])=[O:35])[cH:28]1.[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[Cl:38][C:39]([Cl:40])([Cl:41])[Cl:42].[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[Br:11]>>[S:1](=[O:2])(=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH3:8])[cH:9][cH:10]1)[S:37][c:24]1[c:23]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:28][c:27]([O:29][S:30]([N:31]([CH3:32])[CH3:33])(=[O:34])=[O:35])[c:26]([CH3:36])[cH:25]1

Participants

5

Reactant 4

HCID 5943Carbon TetrachlorideHCID 8471TriethylamineHCID 101308854-Methylbenzene-1-sulfonyl bromideHCID 10662229Dimethyl-sulfamic acid 5-tert-butyl-4-mercapto-2-methyl-phenyl ester

Product 1

HCID 10695175toluene-4-thiosulfonic acid S-(2-tert-butyl-4-dimethylsulfamoyloxy-5-methyl-phenyl) ester

Sources & evidence

ORD record
ord-c2c882cb49fd49a2935250954d8d6422
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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