Benzene → HCID 53886128, compound

HRID 674013Notes

Reaction equation

HRID 674013 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:25])[N:19]([CH2:23][CH3:24])[O:20][CH2:21][CH2:22]2)[OH:26])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[OH2:27].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]=[C:17]2[C:18](=[O:25])[N:19]([CH2:23][CH3:24])[O:20][CH2:21][CH2:22]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 19871113HCID 19871113, compound

Product 1

HCID 53886128HCID 53886128, compound

Sources & evidence

ORD record
ord-6d44d3ea76db4d2cb1c4979b6dece87d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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