Formic Acid → 4-(4-Ethoxy-2,3-difluorophenyl)cyclohexanone

HRID 1112978Notes

Reaction equation

HRID 1112978 reaction equation
[CH2:1]1[O:2][C:4]2([O:3][CH2:21]1)[CH2:5][CH2:6][CH:7]([c:10]1[c:11]([F:20])[c:12]([F:19])[c:13]([O:16][CH2:17][CH3:18])[cH:14][cH:15]1)[CH2:8][CH2:9]2.[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH:22]([OH:23])=[O:24]>>[O:3]=[C:4]1[CH2:5][CH2:6][CH:7]([c:10]2[c:11]([F:20])[c:12]([F:19])[c:13]([O:16][CH2:17][CH3:18])[cH:14][cH:15]2)[CH2:8][CH2:9]1

Participants

4

Reactant 3

HCID 284Formic AcidHCID 1140TolueneHCID 220205208-(2,3-Difluoro-4-ethoxyphenyl)-1,4-dioxaspiro[4.5]decane

Product 1

HCID 111611214-(4-Ethoxy-2,3-difluorophenyl)cyclohexanone

Sources & evidence

ORD record
ord-beb3dbba57a948d2a4cea646891955cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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