4-Ethynylheptan-4-ol → N-(3-(3-chloro-5-(3-hydroxy-3-propylhex-1-ynyl)phenyl)-3-hydroxypropyl)-2,2,2-trifluoroacetamide

반응식

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

참가 물질

반응물 2

HCID 123838984-Ethynylheptan-4-ol

HCID 86628460N-(3-(5-bromo-3-chlorophenyl)-3-hydroxypropyl)-2,2,2-trifluoroacetamide

생성물 1

HCID 86628459N-(3-(3-chloro-5-(3-hydroxy-3-propylhex-1-ynyl)phenyl)-3-hydroxypropyl)-2,2,2-trifluoroacetamide

출처 및 근거

ORD 기록: ord-2651c34313fe4a25ad22558e81a9cd43
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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