Methanol → [4-({(2-Cyclopropylethyl)[4'-(trifluoromethyl)-1,1'-biphenyl-3-yl]amino}sulfonyl)-2-methylphenoxy]acetic acid

HRID 2338021Notes

Reaction equation

HRID 2338021 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:42][OH:43].[CH:1]1([CH2:4][CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12]([CH3:23])[c:13]([O:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:21][cH:22]2)[c:24]2[cH:25][c:26](-[c:30]3[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:2][CH2:3]1.[Na+:41].[OH-:40]>>[CH:1]1([CH2:4][CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12]([CH3:23])[c:13]([O:14][CH2:15][C:16](=[O:17])[OH:18])[cH:21][cH:22]2)[c:24]2[cH:25][c:26](-[c:30]3[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 58622892Ethyl [4-({(2-cyclopropylethyl)[4'-(trifluoromethyl)-1,1'-biphenyl-3-yl]amino}sulfonyl)-2-methylphenoxy]acetate

Product 1

HCID 18448285[4-({(2-Cyclopropylethyl)[4'-(trifluoromethyl)-1,1'-biphenyl-3-yl]amino}sulfonyl)-2-methylphenoxy]acetic acid

Sources & evidence

ORD record
ord-08271c3b19e342428effd1d6a1637c9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…