Ammonium → 4-Fluoro-5-(2-hydroxymethyl-pyrimidin-4-yloxy)-2-methyl-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

HRID 99222Notes

Reaction equation

HRID 99222 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:46][OH:47].[Cl-:43].[F:7][c:8]1[c:9]2[cH:10][c:11]([CH3:42])[n:12]([C:29]([NH:30][c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[c:13]2[cH:14][cH:15][c:16]1[O:17][c:18]1[n:19][c:20]([CH2:24][O:25][C:26](=[O:27])[CH3:28])[n:21][cH:22][cH:23]1.[K+:5].[K+:6].[NH4+:44].[OH2:45]>>[F:7][c:8]1[c:9]2[cH:10][c:11]([CH3:42])[n:12]([C:29]([NH:30][c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)=[O:41])[c:13]2[cH:14][cH:15][c:16]1[O:17][c:18]1[n:19][c:20]([CH2:24][OH:25])[n:21][cH:22][cH:23]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 59394198acetic acid 4-[4-fluoro-2-methyl-1-(3-trifluoromethyl-phenylcarbamoyl)-1H-indol-5-yloxy]-pyrimidin-2-ylmethyl ester

Product 1

HCID 593945384-Fluoro-5-(2-hydroxymethyl-pyrimidin-4-yloxy)-2-methyl-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Sources & evidence

ORD record
ord-ed447752fc6a455391d6bca8c271ca88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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