HRID183474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID13156

2-Butanone, 1-bromo-

C4H7BrO

HCID16028

Tetrabutylammonium

C16H36N+

HCID9817332

o-Desmethyl metoclopramide

C13H20ClN3O2

PRODUCTS

生成物

结构：CCC(=O)COc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC

HCID14116893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f05e92e8ac994f5da3efc2c8b85c70e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:37][CH2:38][C:39]([CH2:40][CH3:41])=[O:42].[CH3:1][CH2:2][CH2:3][CH2:4][N+:5]([CH2:6][CH2:7][CH2:8][CH3:9])([CH2:10][CH2:11][CH2:12][CH3:13])[CH2:14][CH2:15][CH2:16][CH3:17].[CH3:43][C:44]#[N:45].[NH2:18][c:19]1[cH:20][c:21]([OH:36])[c:22]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[cH:33][c:34]1[Cl:35]>>[NH2:18][c:19]1[cH:20][c:21]([O:36][CH2:38][C:39]([CH2:40][CH3:41])=[O:42])[c:22]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[cH:33][c:34]1[Cl:35]