2,2-Dimethylpropane-1-sulfonyl chloride → (5RS,6RS)-8-(2,2-Dimethyl-propane-1-sulfonyl)-6-hydroxy-2-[4-(2,2,2-trifluoro-ethyl)-phenyl]-2,8-diaza-spiro[4.5]decan-1-one

반응식

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

참가 물질

반응물 2

HCID 125746322,2-Dimethylpropane-1-sulfonyl chloride

HCID 58056621HCID 58056621, 화합물

생성물 1

HCID 56602714(5RS,6RS)-8-(2,2-Dimethyl-propane-1-sulfonyl)-6-hydroxy-2-[4-(2,2,2-trifluoro-ethyl)-phenyl]-2,8-diaza-spiro[4.5]decan-1-one

출처 및 근거

ORD 기록: ord-454b82ae33aa49f49195c40d9db156ee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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