Benzene → HCID 54281029, compound

HRID 202894Notes

Reaction equation

HRID 202894 reaction equation
[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[N:16]([S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1)[CH3:27])[CH3:28].[S:29]([Cl:30])([Cl:31])=[O:32].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH3:1][C:2]([C:3](=[O:4])[Cl:31])([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1)[N:16]([S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1)[CH3:27])[CH3:28]

Participants

4

Reactant 3

HCID 241BenzeneHCID 24386Thionyl ChlorideHCID 540446942,2-dimethyl-4-(p-methoxyphenyl)-3-(N-methyl-p-toluenesulfonamido)butyric acid

Product 1

HCID 54281029HCID 54281029, compound

Sources & evidence

ORD record
ord-db7d0e3833b848e7bbf5e5bfdb863655
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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