4-Ethynylheptan-4-ol → 2,2,2-trifluoro-N-(2-(3-(3-hydroxy-3-propylhex-1-ynyl)phenylthio)ethyl)acetamide

반응식

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

참가 물질

반응물 2

HCID 123838984-Ethynylheptan-4-ol

HCID 57608330N-(2-(3-bromophenylthio)ethyl)-2,2,2-trifluoroacetamide

생성물 1

HCID 576083642,2,2-trifluoro-N-(2-(3-(3-hydroxy-3-propylhex-1-ynyl)phenylthio)ethyl)acetamide

출처 및 근거

ORD 기록: ord-95c666ff1f814322bd0e2c764cb97aa1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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