Benzene → HCID 19822239, compound

HRID 2151967Notes

Reaction equation

HRID 2151967 reaction equation
[C:1]([O:2][CH:5]1[CH2:6][C:7]([CH2:23][O:24][c:25]2[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]2)([CH3:34])[O:8][c:9]2[cH:10][c:11]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:12]([O:15][C:16]([CH3:17])=[O:18])[cH:13][c:14]21)(=[O:3])[CH3:4].[OH2:35].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1.[cH:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:5]1=[CH:6][C:7]([CH2:23][O:24][c:25]2[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]2)([CH3:34])[O:8][c:9]2[cH:10][c:11]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:12]([O:15][C:16]([CH3:17])=[O:18])[cH:13][c:14]21

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 19822212HCID 19822212, compound

Product 1

HCID 19822239HCID 19822239, compound

Sources & evidence

ORD record
ord-c87d4f38eb8345a49ef38dcb6309b542
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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