HRID815440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7681

N,N-Dimethylbenzylamine

C9H13N

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-d612f795a3ba4c4d924756303563cfe1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:54](#[N:55])[CH3:56].[CH3:39][S:40](=[O:41])[CH3:42].[CH3:43][N:44]([CH3:45])[CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[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.[OH2:53].[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