Sodium ion → methyl 3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzoate

HRID 1222455Notes

Reaction equation

HRID 1222455 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1.[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[CH3:17][n:18]1[n:19][cH:20][c:21]([B:23]2[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]2)[cH:22]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:16]>>[c:2]1(-[c:21]2[cH:20][n:19][n:18]([CH3:17])[cH:22]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 18942156Methyl 3-bromo-5-(trifluoromethyl)benzoate

Product 1

HCID 59439420methyl 3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzoate

Sources & evidence

ORD record
ord-a6e37c6097bd484dbb0eed6ccb322824
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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