Tetrahydrofuran → 1,1-Dimethylethyl 8-ethyl-9,9-bis(4-fluorophenyl)-5-hydroxy-3-oxo-6,8-nondienoate

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 15538Tert-butyl acetoacetate

HCID 541186354-Ethyl-5,5-bis(4-fluorophenyl)-2,4-pentadienal

생성물 1

HCID 736577601,1-Dimethylethyl 8-ethyl-9,9-bis(4-fluorophenyl)-5-hydroxy-3-oxo-6,8-nondienoate

출처 및 근거

ORD 기록: ord-65eb500a8cc44ac398c3748c19c830ef
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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