Acetate → 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-1H-1,2,4-triazol-5-one

HRID 2142281Notes

Reaction equation

HRID 2142281 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:25])[c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1.[Br:31][c:32]1[cH:33][c:34]2[cH:35][cH:36][c:37]([F:42])[cH:38][c:39]2[cH:40][cH:41]1.[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:27][C:28](=[O:29])[O-:30].[K+:26].[K+:47].[K+:48]>>[c:2]1(-[c:32]2[cH:33][c:34]3[cH:35][cH:36][c:37]([F:42])[cH:38][c:39]3[cH:40][cH:41]2)[cH:3][c:4]([F:25])[c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 813Potassium Cation3×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 3453972-Bromo-6-fluoronaphthaleneHCID 772751834-(4-bromo-2-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 774442223-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[2-fluoro-4-(6-fluoronaphthalen-2-yl)phenyl]-1H-1,2,4-triazol-5-one

Sources & evidence

ORD record
ord-d832b0ebe0f94999921dfa42cd6636e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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