Potassium Cation → tert-butyl 4-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-1-carboxylate

HRID 170473Notes

Reaction equation

HRID 170473 reaction equation
[C:10](=[O:11])([O-:12])[O-:13].[CH2:40]1[O:41][CH2:42][CH2:43][O:44][CH2:45]1.[CH3:16][C:17]1([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22][B:23]([c:24]2[cH:25][n:26][n:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:28]2)[O:36]1.[Cl:1][c:2]1[cH:3][c:4]([I:9])[c:5]([OH:8])[cH:6][cH:7]1.[Cl:37][CH2:38][Cl:39].[K+:14].[K+:15].[OH2:46]>>[Cl:1][c:2]1[cH:3][c:4](-[c:24]2[cH:25][n:26][n:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:28]2)[c:5]([OH:8])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 6202344-Chloro-2-iodophenolHCID 16217654tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate

Product 1

HCID 59436518tert-butyl 4-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-1-carboxylate

Sources & evidence

ORD record
ord-87877ddcec844d1caa63e06be5adc0a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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