5-formyl-2,4-dimethyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrrole-3-carboxamide → 2,4-Dimethyl-5-(2-oxo-6-Pyridin-3-yl-1,2-Dihydroindol-3-Ylidenemethyl)-1H-Pyrrole-3-Carboxylic Acid (2-Pyrrolidin-1-Ylethyl) Amide

반응식

[N:17]1([CH2:22][CH2:23][NH:24][C:25](=[O:26])[c:27]2[c:28]([CH3:35])[nH:29][c:30]([CH:33]=[O:34])[c:31]2[CH3:32])[CH2:18][CH2:19][CH2:20][CH2:21]1.[n:1]1[cH:2][c:3](-[c:7]2[cH:8][cH:9][c:10]3[c:14]([cH:15]2)[NH:13][C:12](=[O:16])[CH2:11]3)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:7]2[cH:8][cH:9][c:10]3[c:14]([cH:15]2)[NH:13][C:12](=[O:16])[C:11]3=[CH:33][c:30]2[nH:29][c:28]([CH3:35])[c:27]([C:25]([NH:24][CH2:23][CH2:22][N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)=[O:26])[c:31]2[CH3:32])[cH:4][cH:5][cH:6]1

참가 물질

반응물 2

HCID 207617295-formyl-2,4-dimethyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrrole-3-carboxamide

HCID 219155796-Pyridin-3-yl-1,3-dihydro-indol-2-one

생성물 1

HCID 672818472,4-Dimethyl-5-(2-oxo-6-Pyridin-3-yl-1,2-Dihydroindol-3-Ylidenemethyl)-1H-Pyrrole-3-Carboxylic Acid (2-Pyrrolidin-1-Ylethyl) Amide

출처 및 근거

ORD 기록: ord-81e8da388a3f452d952cd21ca8c08c56
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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