HRID1240619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID9834255

3H-spiro[isobenzofuran-1,4'-piperidin]-3-one

C12H13NO2

HCID9879110

未命名化合物

PRODUCTS

生成物

结构：O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21

HCID9887225

3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C23H20N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205381a88dd641378d666ba302615152
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH:46]([Cl:47])([Cl:48])[Cl:49].[ClH:1].[NH:2]1[CH2:3][CH2:4][C:5]2([O:6][C:7](=[O:14])[c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]32)[CH2:15][CH2:16]1.[c:17]1(-[c:23]2[n:24][cH:25][c:26]([NH:29][C:30]([O:31][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)=[O:32])[n:27][cH:28]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[N:2]1([C:30]([NH:29][c:26]2[cH:25][n:24][c:23](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:28][n:27]2)=[O:31])[CH2:3][CH2:4][C:5]2([O:6][C:7](=[O:14])[c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]32)[CH2:15][CH2:16]1