Chloride → 5-(3,5-dichlorophenylsulfanyl)-4-[(4-pyridyl)hydroxymethyl]-1-isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester

HRID 2331044Notes

Reaction equation

HRID 2331044 reaction equation
[Br:2][c:3]1[cH:4][cH:5][n:6][cH:7][cH:8]1.[CH2:20]([CH3:21])[O:22][C:23](=[O:24])[c:25]1[n:26][n:27]([CH:41]([CH3:42])[CH3:43])[c:28]([S:32][c:33]2[cH:34][c:35]([Cl:40])[cH:36][c:37]([Cl:39])[cH:38]2)[c:29]1[CH:30]=[O:31].[CH:16]([Mg+:17])([CH3:18])[CH3:19].[Cl-:15].[ClH:1].[Na+:10].[Na+:9].[O-:11][C:12](=[O:13])[O-:14].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49]>>[c:3]1([CH:30]([c:29]2[c:25]([C:23]([O:22][CH2:20][CH3:21])=[O:24])[n:26][n:27]([CH:41]([CH3:42])[CH3:43])[c:28]2[S:32][c:33]2[cH:34][c:35]([Cl:40])[cH:36][c:37]([Cl:39])[cH:38]2)[OH:31])[cH:4][cH:5][n:6][cH:7][cH:8]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 142684-BromopyridineHCID 19660Carbonate IonHCID 867588885-(3,5-dichlorophenylsulfanyl)-4-formyl-1-isopropyl-1H-pyrazole-3-carboxylic acid ethyl esterHCID 178461726HCID 178461726, compound

Product 1

HCID 693543725-(3,5-dichlorophenylsulfanyl)-4-[(4-pyridyl)hydroxymethyl]-1-isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-34d3ac6e326b448c87392c6b6129bc3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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