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

HRID 2135835
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HRID 2135835 반응식
[CH2:21]([CH3:22])[N:23]([CH2:24][CH2:25][CH2:26][NH:27][C:28](=[O:29])[c:30]1[c:31]([CH3:38])[nH:32][c:33]([CH:36]=[O:37])[c:34]1[CH3:35])[CH2:39][CH3:40].[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[CH3:47][CH2:48][OH:49].[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:36][c:33]2[nH:32][c:31]([CH3:38])[c:30]([C:28]([NH:27][CH2:26][CH2:25][CH2:24][N:23]([CH2:21][CH3:22])[CH2:39][CH3:40])=[O:29])[c:34]2[CH3:35])[cH:6][cH:7][cH:8]1)([F:19])[F:20]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 702EthanolHCID 8082PiperidineHCID 207617995-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-diethylamino-propyl)-amideHCID 225619054-(3-Trifluoromethyl-phenyl)-1,3-dihydro-indol-2-one

생성물 1

HCID 726376132,4-dimethyl-5-[2-oxo-4-(3-trifluoromethyl-phenyl)-1,2-dihydro-indol-3-ylidenemethyl]-1H-pyrrole-3-carboxylic acid (3-diethylamino-propyl)amide

출처 및 근거

ORD 기록
ord-655a9322d591423c8ba973b73a0d0859
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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