6-Phenyl-1,3-dihydro-indol-2-one → 2,4-Dimethyl-5-(2-oxo-6-phenyl-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid (3-imidazol-1-ylpropyl)amide

반응식

[c:1]1(-[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:2][cH:3][cH:4][cH:5][cH:6]1.[n:17]1([CH2:22][CH2:23][CH2:24][NH:25][C:26](=[O:27])[c:28]2[c:29]([CH3:36])[nH:30][c:31]([CH:34]=[O:35])[c:32]2[CH3:33])[cH:18][n:19][cH:20][cH:21]1>>[c:1]1(-[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:34][c:31]2[nH:30][c:29]([CH3:36])[c:28]([C:26]([NH:25][CH2:24][CH2:23][CH2:22][n:17]3[cH:18][n:19][cH:20][cH:21]3)=[O:27])[c:32]2[CH3:33])[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 2

HCID 105363846-Phenyl-1,3-dihydro-indol-2-one

HCID 865862085-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-imidazol-1-ylpropyl)amide

생성물 1

HCID 672817192,4-Dimethyl-5-(2-oxo-6-phenyl-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrole-3-carboxylic acid (3-imidazol-1-ylpropyl)amide

출처 및 근거

ORD 기록: ord-54de231b2ddc4d0aa0f4bdf37f605be7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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