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Ethanol → 2-[4(3-Methoxy-phenyl)2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide

HRID 1560329
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인쇄 미리보기

반응식

HRID 1560329 반응식
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[NH:13][C:12](=[O:18])[CH2:11]3)[cH:6][cH:7][cH:8]1.[CH3:43][CH2:44][OH:45].[N:19]1([CH2:24][CH2:25][NH:26][C:27](=[O:28])[c:29]2[c:30]([CH:35]=[O:36])[nH:31][c:32]([CH3:34])[cH:33]2)[CH2:20][CH2:21][CH2:22][CH2:23]1>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:9]2[c:10]3[c:14]([cH:15][cH:16][cH:17]2)[NH:13][C:12](=[O:18])[C:11]3=[CH:35][c:30]2[c:29]([C:27]([NH:26][CH2:25][CH2:24][N:19]3[CH2:20][CH2:21][CH2:22][CH2:23]3)=[O:28])[cH:33][c:32]([CH3:34])[nH:31]2)[cH:6][cH:7][cH:8]1
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참가 물질

5

반응물 4

HCID 702EthanolHCID 8082PiperidineHCID 207616182-formyl-5-methyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amideHCID 225618094-(3-Methoxy-phenyl)-1,3-dihydro indol-2-one

생성물 1

HCID 513463932-[4(3-Methoxy-phenyl)2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide

출처 및 근거

ORD 기록
ord-dd6923f66b314ec299db5c7732d8bffa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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