Water → 4-(1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylic Acid

HRID 1144470Notes

Reaction equation

HRID 1144470 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[OH:9])[s:5][cH:6]1.[C:10](=[O:11])([O-:12])[O-:13].[CH3:16][n:17]1[n:18][cH:19][cH:20][c:21]1[B:22]1[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]1.[Cs+:14].[Cs+:15].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[OH2:37]>>[c:2]1(-[c:21]2[n:17]([CH3:16])[n:18][cH:19][cH:20]2)[cH:3][c:4]([C:7](=[O:8])[OH:9])[s:5][cH:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 6104094-Bromo-2-thiophenecarboxylic AcidHCID 49129081-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

Product 1

HCID 578264554-(1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylic Acid

Sources & evidence

ORD record
ord-0065f4601ca4437c9daa2bc639c93bc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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