Acetone → 5-(4-Fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide

HRID 296173

반응식

HRID 296173 반응식
[CH2:1]([O:3][CH:4]([O:2][CH2:37][CH3:38])[CH2:5][CH2:6][n:7]1[c:8]([CH:34]([CH3:35])[CH3:36])[c:9]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:10](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:11]1-[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1)[CH3:39].[CH3:41][C:42](=[O:43])[CH3:44].[ClH:40]>>[O:3]=[CH:4][CH2:5][CH2:6][n:7]1[c:8]([CH:34]([CH3:35])[CH3:36])[c:9]([C:25](=[O:26])[NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:10](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:11]1-[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1

참가 물질

4

반응물 3

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 110497051-(3,3-diethoxypropyl)-5-(4-fluorophenyl)-2-(1-methyl-ethyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide

생성물 1

HCID 113055725-(4-Fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide

출처 및 근거

ORD 기록
ord-28476c00231043fd96f081aebc2bbc2e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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