Cyclopropanecarbonyl chloride → 3-[N-(4-Chlorobenzyl)-3-cyclopropanecarbonyl-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

반응식

[CH:41]1([C:44](=[O:45])[Cl:46])[CH2:42][CH2:43]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:32][C:33]([C:34](=[O:35])[OH:36])([CH3:37])[CH3:38])[c:9]([C:28]([CH3:29])([CH3:30])[CH3:31])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:39][cH:40]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8]([CH2:32][C:33]([C:34](=[O:35])[OH:36])([CH3:37])[CH3:38])[c:9]([C:44]([CH:41]3[CH2:42][CH2:43]3)=[O:45])[c:10]3[cH:11][c:12]([O:16][CH2:17][c:18]4[n:19][c:20]5[cH:21][cH:22][cH:23][cH:24][c:25]5[cH:26][cH:27]4)[cH:13][cH:14][c:15]23)[cH:39][cH:40]1

참가 물질

반응물 2

HCID 77637Cyclopropanecarbonyl chloride

HCID 189475373-[n-(4-Chlorobenzyl)-3-(1,1-dimethylethyl)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

생성물 1

HCID 189476273-[N-(4-Chlorobenzyl)-3-cyclopropanecarbonyl-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid

출처 및 근거

ORD 기록: ord-8661f40fe0ff4285bcdb8d4ffcf5d250
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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