Benzene → HCID 22129431, compound

HRID 1113745Notes

Reaction equation

HRID 1113745 reaction equation
[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[S:26]([Cl:27])([Cl:28])=[O:29].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[o:1]1[n:2][c:3](-[c:6]2[c:7]([CH3:19])[c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][c:14]2[S:15](=[O:16])(=[O:17])[CH3:18])[cH:4][cH:5]1>>[o:1]1[n:2][c:3](-[c:6]2[c:7]([CH3:19])[c:8]([C:9](=[O:10])[Cl:28])[cH:12][cH:13][c:14]2[S:15](=[O:16])(=[O:17])[CH3:18])[cH:4][cH:5]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 221294303-(Isoxazol-3-yl)-4-methylsulfonyl-2-methylbenzoic acid

Product 1

HCID 22129431HCID 22129431, compound

Sources & evidence

ORD record
ord-a76b1b315124420f8bd7fbaa2d07c272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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