Methanol → 3-[5-(1,1-Difluoro-ethyl)-tetrazol-1-yl]-5-(5-methyl-pyridin-2-yl)-benzoic acid

HRID 313929

Reaction equation

HRID 313929 reaction equation
[CH2:31]([Cl:32])[Cl:33].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6](-[n:17]2[n:18][n:19][n:20][c:21]2[C:22]([CH3:23])([F:24])[F:25])[cH:7][c:8](-[c:10]2[n:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[cH:9]1)=[O:26].[CH3:27][OH:28].[Na+:30].[OH-:29]>>[O:2]=[C:3]([c:4]1[cH:5][c:6](-[n:17]2[n:18][n:19][n:20][c:21]2[C:22]([CH3:23])([F:24])[F:25])[cH:7][c:8](-[c:10]2[n:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]2)[cH:9]1)[OH:26]

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 666640383-[5-(1,1-Difluoro-ethyl)-tetrazol-1-yl]-5-(5-methyl-pyridin-2-yl)-benzoic acid methyl ester

Product 1

HCID 666643303-[5-(1,1-Difluoro-ethyl)-tetrazol-1-yl]-5-(5-methyl-pyridin-2-yl)-benzoic acid

Sources & evidence

ORD record
ord-3a269d10fa6e4c668f003645bba3f914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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