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Bicarbonate Ion → 2-(4-Fluorophenyl)-3-(2-phenoxy-pyrimidin-4-yl)-6,7-dihydro-5h pyrazolo-[1,2-a]pyrazol-1-one

HRID 2139139
Notes
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Reaction equation

HRID 2139139 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[c:18](-[c:26]3[n:27][c:28]([S:32]([CH3:33])(=[O:34])=[O:35])[n:29][cH:30][cH:31]3)[n:19]3[n:20]([c:24]2=[O:25])[CH2:21][CH2:22][CH2:23]3)[cH:15][cH:16]1.[H-:9].[Na+:45].[Na+:8].[O-:41][C:42]([OH:43])=[O:44].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:28]1[n:27][c:26](-[c:18]2[c:17](-[c:14]3[cH:13][cH:12][c:11]([F:10])[cH:16][cH:15]3)[c:24](=[O:25])[n:20]3[n:19]2[CH2:23][CH2:22][CH2:21]3)[cH:31][cH:30][n:29]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium Ion2×HCID 996PhenolHCID 8028TetrahydrofuranHCID 166653HydrideHCID 129914052-(4-fluorophenyl)-3-(2-methanesulfonyl-pyrimidin-4-yl)-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-one

Product 1

HCID 10271586
2-(4-Fluorophenyl)-3-(2-phenoxy-pyrimidin-4-yl)-6,7-dihydro-5h pyrazolo-[1,2-a]pyrazol-1-one

Sources & evidence

ORD record
ord-3ba6d23d684549f3aff4df566b0785cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes