Potassium Cation → 7-Chloro-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one

HRID 194505Notes

Reaction equation

HRID 194505 reaction equation
[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[Cl:19][c:20]1[cH:21][cH:22][c:23]2[c:24](=[O:30])[nH:25][cH:26][n:27][c:28]2[cH:29]1.[F:1][c:2]1[c:3]([C:9]2([CH2:13][n:14]3[n:15][cH:16][n:17][cH:18]3)[O:10][CH:11]2[CH3:12])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36].[OH2:37]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[n:25]2[c:24](=[O:30])[c:23]3[cH:22][cH:21][c:20]([Cl:19])[cH:29][c:28]3[n:27][cH:26]2)[CH2:13][n:14]2[n:15][cH:16][n:17][cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 147064491-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazoleHCID 1354161757-Chloro-3H-quinazolin-4-one

Product 1

HCID 187669097-Chloro-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one

Sources & evidence

ORD record
ord-e5593fa0839948928b37d4e8571ba594
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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