HRID296173

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

结构：CCOC(CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C)OCC

HCID11049705

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC=O

HCID11305572

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

C29H27FN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28476c00231043fd96f081aebc2bbc2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[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