Benzene, 1-chloro-4-ethynyl- → 4-[(4-chlorophenyl)ethynyl]-N-(3-cyclopentylpropyl)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-7-yl)benzamide

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:21]2)[O:14][C:15]([CH3:19])([CH3:20])[O:16][C:17]3=[O:18])[CH2:22][CH2:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:30][cH:31]1.[Cl:32][c:33]1[cH:34][cH:35][c:36]([C:39]#[CH:40])[cH:37][cH:38]1>>[c:2]1([C:40]#[C:39][c:36]2[cH:35][cH:34][c:33]([Cl:32])[cH:38][cH:37]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:21]2)[O:14][C:15]([CH3:19])([CH3:20])[O:16][C:17]3=[O:18])[CH2:22][CH2:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:30][cH:31]1

참가 물질

반응물 2

HCID 70118Benzene, 1-chloro-4-ethynyl-

HCID 575545704-bromo-N-(3-cyclopentylpropyl)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-7-yl)benzamide

생성물 1

HCID 575544754-[(4-chlorophenyl)ethynyl]-N-(3-cyclopentylpropyl)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-7-yl)benzamide

출처 및 근거

ORD 기록: ord-709cc1f298a6487f9cf652c3df930b46
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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