Bicarbonate Ion → 6,6-difluoro-5-methyl-5-hexenyl 4-chloro-5-ethyl-2-methyl-2H-pyrazole-3-carboxylate

HRID 2327192

Reaction equation

HRID 2327192 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:6][S:7](=[O:8])(=[O:9])[O:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15](=[C:16]([F:17])[F:18])[CH3:19].[Cl:20][c:21]1[c:22]([C:29](=[O:30])[OH:31])[n:23]([CH3:28])[n:24][c:25]1[CH2:26][CH3:27].[Na+:32].[OH2:37].[OH:33][C:34](=[O:35])[O-:36]>>[O:10]([CH2:11][CH2:12][CH2:13][CH2:14][C:15](=[C:16]([F:17])[F:18])[CH3:19])[C:29]([c:22]1[c:21]([Cl:20])[c:25]([CH2:26][CH3:27])[n:24][n:23]1[CH3:28])=[O:30]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 147706824-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acidHCID 230203716,6-Difluoro-5-methyl-5-hexenyl methanesulfonate

Product 1

HCID 691815386,6-difluoro-5-methyl-5-hexenyl 4-chloro-5-ethyl-2-methyl-2H-pyrazole-3-carboxylate

Sources & evidence

ORD record
ord-fd21fb14b7b04f81a2e2a0be49a735be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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