Sodium ion → 2-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (3-ethyl-5-trifluoromethyl-indol-1-yl)-amide

HRID 1234608Notes

Reaction equation

HRID 1234608 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:18]([CH3:19])[c:20]1[cH:21][n:22]([NH2:33])[c:23]2[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][c:28]12.[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1.[Na+:43].[Na+:44].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:15](=[O:17])[NH:33][n:22]3[cH:21][c:20]([CH2:18][CH3:19])[c:28]4[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27]4)[c:12]([CH3:14])[n:13]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 617025872-(3-Fluorophenyl)-4-methylpyrimidine-5-carboxylic acidHCID 685542413-Ethyl-5-trifluoromethyl-indol-1-ylamine

Product 1

HCID 591999642-(3-Fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid (3-ethyl-5-trifluoromethyl-indol-1-yl)-amide

Sources & evidence

ORD record
ord-b5548ddbfac741749413613b6321fbb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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