Dichloromethane → Difluoro-acetic acid 4-(4-ethylcyclohexyl)-cyclohexyl ester

HRID 174592Notes

Reaction equation

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

Participants

Reactant 5

HCID 6344Dichloromethane

HCID 8471Triethylamine

HCID 9788Difluoroacetic acid

HCID 10868Dicyclohexylcarbodiimide

HCID 22242489(Trans,trans)-4'-ethyl-[1,1'-bi(cyclohexan)]-4-ol

Product 1

HCID 20615181Difluoro-acetic acid 4-(4-ethylcyclohexyl)-cyclohexyl ester

Sources & evidence

ORD record: ord-a02e0cf948e1409d948936862ca54ea8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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