Hydrochloric Acid → 1-(4-Bromo-2-methylphenylaminocarbonyl)cyclopropanecarboxylic acid

HRID 1537318Notes

Reaction equation

HRID 1537318 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[CH2:9][C:10]([O:11][CH2:12][CH3:13])=[O:14])[c:15]([CH3:16])[cH:17]1.[Br:30][c:31]1[cH:32][c:33]([CH3:48])[c:34]([NH:37][C:38](=[O:39])[C:40]2([C:43](=[O:44])[O:45][CH2:46][CH3:47])[CH2:41][CH2:42]2)[cH:35][cH:36]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[Cl:18][CH2:19][CH2:20][Br:21].[ClH:49].[K+:26].[K+:27].[K+:29].[OH-:28].[OH2:50]>>[Br:30][c:31]1[cH:32][c:33]([CH3:48])[c:34]([NH:37][C:38](=[O:39])[C:40]2([C:43](=[O:44])[OH:45])[CH2:41][CH2:42]2)[cH:35][cH:36]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 78491-Bromo-2-ChloroethaneHCID 19660Carbonate IonHCID 14150214Ethyl 3-[(4-bromo-2-methylphenyl)amino]-3-oxopropanoateHCID 14150215Ethyl 1-(4-bromo-2-methylphenylaminocarbonyl)cyclopropanecarboxylate

Product 1

HCID 190969071-(4-Bromo-2-methylphenylaminocarbonyl)cyclopropanecarboxylic acid

Sources & evidence

ORD record
ord-931a786e9e714575a0b093bdfa9fecf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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