Benzene → HCID 86737365, compound

HRID 666645Notes

Reaction equation

HRID 666645 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([CH:6]([CH2:7][CH2:8][CH2:9][C:10]1([CH3:23])[O:11][CH2:12][C:13]2([CH2:18][C:19](=[O:20])[O:21][CH3:22])[CH2:14][CH2:15][CH:16]1[O:17]2)[CH3:24])[CH2:25][CH2:26][C:27](=[CH2:28])[CH3:29].[OH2:30].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([CH:6]([CH2:7][CH2:8][CH2:9][C:10]1([CH3:23])[O:11][CH2:12][C:13]2([CH2:18][C:19](=[O:20])[O:21][CH3:22])[CH2:14][CH2:15][CH:16]1[O:17]2)[CH3:24])[CH2:25][CH:26]=[C:27]([CH3:28])[CH3:29]

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 86737366HCID 86737366, compound

Product 1

HCID 86737365HCID 86737365, compound

Sources & evidence

ORD record
ord-fa77202f003a4f0393d78e07061fe2bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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