Methanol → [3-[(4-Chlorophenyl)methyl]-2-(1,1-dimethylethyl)-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetic acid

Reaction equation

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

Participants

Reactant 4

HCID 887Methanol

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 58460191Ethyl[3-[(4-chlorophenyl)methyl]-2-(1,1-dimethylethyl)-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetate

Product 1

HCID 58460190[3-[(4-Chlorophenyl)methyl]-2-(1,1-dimethylethyl)-3,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-4-yl]acetic acid

Sources & evidence

ORD record: ord-653e675ff5b945dd89c4050d286dcbb4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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