Tetrahydrofuran → 4,5-Dichloro-6-(1-methoxymethyl-5-pyrazolylcarbonyl)-1,3-benzodioxole-2-carboxylic acid

HRID 101749Notes

Reaction equation

HRID 101749 reaction equation
[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:1][O:2][CH2:3][n:4]1[cH:5][cH:6][cH:7][n:8]1.[CH3:55][N:56]([CH3:57])[P:58](=[O:59])([N:60]([CH3:61])[CH3:62])[N:63]([CH3:64])[CH3:65].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cl:14][c:15]1[c:16]2[c:23]([cH:24][c:25]([CH:26]=[O:27])[c:28]1[Cl:29])[O:22][CH:18]([C:19]([O-:20])=[O:21])[O:17]2.[Cl:31][c:32]1[c:33]([Cl:54])[c:34]([CH:44]([OH:45])[c:46]2[cH:47][cH:48][n:49][n:50]2[CH2:51][O:52][CH3:53])[cH:35][c:36]2[c:40]1[O:39][CH:38]([C:41](=[O:42])[OH:43])[O:37]2.[Li+:30].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1>>[Cl:31][c:32]1[c:33]([Cl:54])[c:34]([C:44](=[O:45])[c:46]2[cH:47][cH:48][n:49][n:50]2[CH2:51][O:52][CH3:53])[cH:35][c:36]2[c:40]1[O:39][CH:38]([C:41](=[O:42])[OH:43])[O:37]2

Participants

9

Reactant 8

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 12679HexamethylphosphoramideHCID 28486Lithium ionHCID 147197681-(Methoxymethyl)-1H-pyrazoleHCID 157144034,5-Dichloro-6-((1-methoxymethyl-pyrazol-5-yl)hydroxyme thyl)1,3-benzodioxole-2-carboxylic acidHCID 178418339ButyllithiumHCID 178519278HCID 178519278, compound

Product 1

HCID 147486174,5-Dichloro-6-(1-methoxymethyl-5-pyrazolylcarbonyl)-1,3-benzodioxole-2-carboxylic acid

Sources & evidence

ORD record
ord-cf4a76a6bb4540a5a826ee14fbd3046f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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