Toluene → 1-{[4-(7-Methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

반응식

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([C:32]([NH:33][C:34]2([C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH:35]([CH:37]=[CH2:38])[CH2:36]2)=[O:44])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[NH:8]1[CH:9]([C:32]([NH:33][C:34]2([C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH:35]([CH:37]=[CH2:38])[CH2:36]2)=[O:44])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1

참가 물질

반응물 2

HCID 1140Toluene

HCID 20765329HCID 20765329, 화합물

생성물 1

HCID 207653161-{[4-(7-Methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-73adf48bb2bb484ea2539fe34ffe41ee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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