Potassium Cation → P2X7 receptor antagonist-1

HRID 1547713Notes

Reaction equation

HRID 1547713 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13]([CH3:33])[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([F:31])[c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][OH:42].[K+:39].[K+:40].[OH2:43]>>[OH:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13]([CH3:33])[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([F:31])[c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 666492102-[5-[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl acetate

Product 1

HCID 56681003P2X7 receptor antagonist-1

Sources & evidence

ORD record
ord-e26f44a2e9d847b7acdb76d6dc859002
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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