Diethyl Ether → Toluene-4-thiosulfonic acid S-(2-tert-butyl-4-tert-butylsulfamoyloxy-5-methyl-phenyl) ester

HRID 2122472Notes

Reaction equation

HRID 2122472 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[cH:7][c:8]([CH3:12])[c:9]([OH:11])[cH:10]1.[C:31]([CH3:32])([CH3:33])([CH3:34])[NH:35][S:36](=[O:37])(=[O:38])[Cl:39].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:40][CH2:41][O:42][CH2:43][CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([S:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]2)[cH:7][c:8]([CH3:12])[c:9]([O:11][S:36]([NH:35][C:31]([CH3:32])([CH3:33])[CH3:34])(=[O:37])=[O:38])[cH:10]1

Participants

5

Reactant 4

HCID 3283Diethyl EtherHCID 8471TriethylamineHCID 10521842Toluene-4-thiosulfonic acid S-(2-tert-butyl-4-hydroxy-5-methyl-phenyl) esterHCID 12682606N-tert-butylsulfamoyl chloride

Product 1

HCID 54445851Toluene-4-thiosulfonic acid S-(2-tert-butyl-4-tert-butylsulfamoyloxy-5-methyl-phenyl) ester

Sources & evidence

ORD record
ord-58afdfb3fef7456abe7e7328822a87cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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