2,2,2-Trifluoro-1-(4-iodophenyl)ethanol → 8-(3,3-Dimethyl-butyryl)-2-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-2,8-diaza-spiro[4.5]decan-1-one

반응식

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

참가 물질

반응물 2

HCID 594408652,2,2-Trifluoro-1-(4-iodophenyl)ethanol

HCID 595780148-(3,3-Dimethyl-butyryl)-2,8-diaza-spiro[4.5]decan-1-one

생성물 1

HCID 595778948-(3,3-Dimethyl-butyryl)-2-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-2,8-diaza-spiro[4.5]decan-1-one

출처 및 근거

ORD 기록: ord-7ed7e89675054692b916c1f52170c16b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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