Chloride → 2-Methyl-4-((2-methylbenzoyl)amino)benzoic acid

HRID 1142406Notes

Reaction equation

HRID 1142406 reaction equation
[CH3:29][c:30]1[cH:31][cH:32][c:33]([C:34]([CH2:35][n+:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:44])[c:42]([NH:43][C:45](=[O:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[CH3:53])[cH:54]1.[CH3:2][c:3]1[c:4]([C:19]([CH2:20][n+:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:5][cH:6][c:7]([NH:9][C:10]([c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)=[O:18])[cH:8]1.[CH3:58][OH:59].[Cl-:1].[Cl-:28].[ClH:57].[Na+:56].[OH-:55].[OH2:60]>>[CH3:2][c:3]1[c:4]([C:19]([OH:27])=[O:44])[cH:5][cH:6][c:7]([NH:9][C:10]([c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)=[O:18])[cH:8]1

Participants

9

Reactant 8

HCID 312Chloride2×HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 866369052-methyl-N-[3-methyl-4-(2-pyridin-1-ium-1-ylacetyl)phenyl]benzamideHCID 866369072-methyl-N-[5-methyl-2-(2-pyridin-1-ium-1-ylacetyl)phenyl]benzamide

Product 1

HCID 251921172-Methyl-4-((2-methylbenzoyl)amino)benzoic acid

Sources & evidence

ORD record
ord-53bf10d45b724bdf9924133a2348e31d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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