Ethanol → 2,4-dimethyl-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1 H-pyrrole-3-carboxylic acid (2-diethylarnino-ethyl)-amide

HRID 89942

반응식

HRID 89942 반응식
[CH2:17]([CH3:18])[N:19]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]1[c:26]([CH3:33])[nH:27][c:28]([CH:31]=[O:32])[c:29]1[CH3:30])[CH2:34][CH3:35].[CH2:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][OH:44].[c:1]1(-[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:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[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:31][c:28]2[nH:27][c:26]([CH3:33])[c:25]([C:23]([NH:22][CH2:21][CH2:20][N:19]([CH2:17][CH3:18])[CH2:34][CH3:35])=[O:24])[c:29]2[CH3:30])[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

5

반응물 4

HCID 702EthanolHCID 8082PiperidineHCID 130486014-Phenylindolin-2-oneHCID 20761785N-(2-(diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

생성물 1

HCID 249413392,4-dimethyl-5-(2-oxo-4-phenyl-1,2-dihydro-indol-3-ylidenemethyl)-1 H-pyrrole-3-carboxylic acid (2-diethylarnino-ethyl)-amide

출처 및 근거

ORD 기록
ord-c2bc6c6b43d14a01b8f83052108bda88
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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