Methanol → 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-hydroxymethyl-1H-pyrazole-3-carboxylic acid ethyl ester

HRID 208474Notes

Reaction equation

HRID 208474 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]([CH2:14][c:15]2[n:16][o:17][c:18](-[c:20]3[s:21][c:22]([Cl:25])[cH:23][cH:24]3)[cH:19]2)[c:9]([C:11](=[O:12])[OH:13])[cH:10]1.[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:26][OH:27]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]([CH2:14][c:15]2[n:16][o:17][c:18](-[c:20]3[s:21][c:22]([Cl:25])[cH:23][cH:24]3)[cH:19]2)[c:9]([CH2:11][OH:12])[cH:10]1

Participants

4

Reactant 3

HCID 887MethanolHCID 8028TetrahydrofuranHCID 602079611-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrazole-3,5-dicarboxylic acid 3-ethyl ester

Product 1

HCID 602079601-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-5-hydroxymethyl-1H-pyrazole-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-a9097b1ebc1743f896c952d9f235de24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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