Sulfuric Acid → 2-Chloro-5-bromo-[(beta-chloroethyl)-sulfonylmethylamino]-benzoic acid

HRID 1574530Notes

Reaction equation

HRID 1574530 reaction equation
[CH3:26][C:27]#[N:28].[Cl:14][c:15]1[c:16]([C:17](=[O:18])[OH:19])[cH:20][c:21]([Br:25])[cH:22][c:23]1[NH2:24].[OH:6][CH2:7][S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][Cl:13].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[CH2:7]([S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][Cl:13])[NH:24][c:23]1[c:15]([Cl:14])[c:16]([C:17](=[O:18])[OH:19])[cH:20][c:21]([Br:25])[cH:22]1

Participants

5

Reactant 4

HCID 1118Sulfuric AcidHCID 6342AcetonitrileHCID 213993193-Amino-5-bromo-2-chlorobenzoic acidHCID 23462655Hydroxymethyl-(beta-chloroethyl)-sulfone

Product 1

HCID 213993372-Chloro-5-bromo-[(beta-chloroethyl)-sulfonylmethylamino]-benzoic acid

Sources & evidence

ORD record
ord-2b916e54f724408a8333bb5259a4b013
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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