4-Pyridin-4-yl-1,3-dihydro-indol-2-one → 4-(2-Carboxyethyl)-3-methyl-5-(2-oxo-4-pyridin-4-yl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic Acid Ethyl Ester

반응식

[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[c:22]1[nH:23][c:24]([CH:33]=[O:34])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[c:26]1[CH3:27].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8]3[c:12]([cH:13][cH:14][cH:15]2)[NH:11][C:10](=[O:16])[CH2:9]3)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[c:8]3[c:12]([cH:13][cH:14][cH:15]2)[NH:11][C:10](=[O:16])[C:9]3=[CH:33][c:24]2[nH:23][c:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[c:26]([CH3:27])[c:25]2[CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:5][cH:6]1

참가 물질

반응물 2

HCID 121115814-Pyridin-4-yl-1,3-dihydro-indol-2-one

HCID 152706233-[5-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrol-3-yl]propanoic acid

생성물 1

HCID 695841704-(2-Carboxyethyl)-3-methyl-5-(2-oxo-4-pyridin-4-yl-1,2-dihydro-indol-3-ylidenemethyl)-1H-pyrrole-2-carboxylic Acid Ethyl Ester

출처 및 근거

ORD 기록: ord-fb296222ce7e44e5b7b98f6140d3c93e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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