Hydrochloric Acid → 2-(5-Carboxyfurfurylamino)-4-chloro-5-methylsulfonylbenzoic acid

HRID 1220635Notes

Reaction equation

HRID 1220635 reaction equation
[C:27](=[O:28])([OH:29])[O-:30].[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:12](=[O:13])(=[O:14])[CH3:15])[c:9]([Cl:11])[cH:10]1.[ClH:16].[ClH:32].[NH2:17][CH2:18][c:19]1[cH:20][cH:21][c:22]([C:24](=[O:25])[OH:26])[o:23]1.[Na+:31].[OH2:33]>>[c:2]1([NH:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([C:24](=[O:25])[OH:26])[o:23]2)[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:12](=[O:13])(=[O:14])[CH3:15])[c:9]([Cl:11])[cH:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8471TriethylamineHCID 31297975-(Aminomethyl)-2-furancarboxylic acidHCID 2210136551521-75-6

Product 1

HCID 215439632-(5-Carboxyfurfurylamino)-4-chloro-5-methylsulfonylbenzoic acid

Sources & evidence

ORD record
ord-d665ee841e9248628fb810eeb4642f2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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