Benzene → HCID 21877772, compound

HRID 1211084Notes

Reaction equation

HRID 1211084 reaction equation
[CH3:1][c:2]1[n:3](-[c:8]2[cH:9][c:10]([F:22])[c:11]([C:15]3([OH:21])[CH2:16][CH2:17][S:18][CH2:19][CH2:20]3)[c:12]([F:14])[cH:13]2)[c:4]([CH3:7])[cH:5][cH:6]1.[OH2:23].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH3:1][c:2]1[n:3](-[c:8]2[cH:9][c:10]([F:22])[c:11]([C:15]3=[CH:16][CH2:17][S:18][CH2:19][CH2:20]3)[c:12]([F:14])[cH:13]2)[c:4]([CH3:7])[cH:5][cH:6]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 21877813HCID 21877813, compound

Product 1

HCID 21877772HCID 21877772, compound

Sources & evidence

ORD record
ord-6e577b67b160418e865f97eb54a9982c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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