Ammonium → 4-(4-Chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enal

HRID 87727Notes

Reaction equation

HRID 87727 reaction equation
[Al+3:26].[C:33]([OH:34])(=[O:35])[CH:36]([CH:37]([C:38]([OH:39])=[O:40])[OH:41])[OH:42].[CH3:43][CH2:44][O:45][CH2:46][CH3:47].[Cl-:31].[Cl:1][c:2]1[c:3]([F:24])[c:4]([O:22][CH3:23])[c:5]([C:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH2:14][CH3:15])([C:16]([F:17])([F:18])[F:19])[OH:20])=[CH2:21])[cH:6][cH:7]1.[H-:25].[H-:28].[H-:29].[H-:30].[Li+:27].[NH4+:32]>>[Cl:1][c:2]1[c:3]([F:24])[c:4]([O:22][CH3:23])[c:5]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:16]([F:17])([F:18])[F:19])[OH:20])=[CH2:21])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 8752,3-Dihydroxybutanedioic AcidHCID 3283Diethyl EtherHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 66969546Ethyl 4-(4-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoate

Product 1

HCID 866153184-(4-Chloro-3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enal

Sources & evidence

ORD record
ord-2b5894a8a5b64bdfbc0b7f7649123ad2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…