Benzene → HCID 3080102, compound

HRID 1227711Notes

Reaction equation

HRID 1227711 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]([CH:17]2[C:18](=[O:23])[N:19]([CH3:22])[O:20][CH2:21]2)[OH:24])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[OH2:25].[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]=[C:17]2[C:18](=[O:23])[N:19]([CH3:22])[O:20][CH2:21]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 14773917HCID 14773917, compound

Product 1

HCID 3080102HCID 3080102, compound

Sources & evidence

ORD record
ord-fd262f47189b4310b0d18a225fe70ba4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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