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

HRID 1219377
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인쇄 미리보기

반응식

HRID 1219377 반응식
[CH2:21]([CH3:22])[N:23]([CH2:24][CH2:25][NH:26][C:27](=[O:28])[c:29]1[c:30]([CH:35]=[O:36])[nH:31][c:32]([CH3:34])[cH:33]1)[CH2:37][CH3:38].[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[F:1][C: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)([F:19])[F:20]>>[F:1][C: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:23]([CH2:21][CH3:22])[CH2:37][CH3:38])=[O:28])[cH:33][c:32]([CH3:34])[nH:31]2)[cH:6][cH:7][cH:8]1)([F:19])[F:20]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 702EthanolHCID 8082PiperidineHCID 207617692-formyl-5-methyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)-amideHCID 225619054-(3-Trifluoromethyl-phenyl)-1,3-dihydro-indol-2-one

생성물 1

HCID 726376865-methyl-2-[2-oxo-4(3-trifluoromethyl-phenyl)-1,2-dihydro-indol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)-amide

출처 및 근거

ORD 기록
ord-d9982e2f461440c8a43cfcdc26771050
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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