HRID295568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID9817332

o-Desmethyl metoclopramide

C13H20ClN3O2

HCID10012249

3-bromo-2-pentanone

C5H9BrO

PRODUCTS

生成物

结构：CCC(Oc1cc(N)c(Cl)cc1C(=O)NCCN(CC)CC)C(C)=O

HCID14116894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1833209bb1754c6aba4062974134ecbc
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

[Br:37][CH:38]([C:39]([CH3:40])=[O:41])[CH2:42][CH3:43].[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].[CH3:44][C:45]#[N:46].[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][CH:38]([C:39]([CH3:40])=[O:41])[CH2:42][CH3:43])[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]