Hydrochloric Acid → Methyl 2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoate

HRID 2319167Notes

Reaction equation

HRID 2319167 reaction equation
[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](=[O:26])[n:16]([CH3:25])[c:17]([CH3:24])[cH:18][c:19]2[C:20]([F:21])([F:22])[F:23])[cH:12][cH:13]1)=[O:27].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:28][c:29]1[c:30]([C:31](=[O:32])[OH:33])[c:34]([CH3:38])[cH:35][cH:36][cH:37]1.[ClH:1].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH3:2][O:3][C:4]([CH:5]([NH:6][C:31]([c:30]1[c:29]([Cl:28])[cH:37][cH:36][cH:35][c:34]1[CH3:38])=[O:32])[CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](=[O:26])[n:16]([CH3:25])[c:17]([CH3:24])[cH:18][c:19]2[C:20]([F:21])([F:22])[F:23])[cH:12][cH:13]1)=[O:27]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 888702-Chloro-6-methylbenzoic acidHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 22382036Methyl 2-amino-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoate

Product 1

HCID 22382038Methyl 2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)pyridin-3-yl]phenyl]propanoate

Sources & evidence

ORD record
ord-85a59584c0c04f42a18ae9aa0a691167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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