HRID668670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID30165

Iodide ion

I-

HCID78766

3-(2-Chloroethyl)quinazoline-2,4(1H,3H)-dione

C10H9ClN2O2

HCID3019427

4-Amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide

C14H20ClN3O3

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1OC

HCID19883491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ff8fc45159248bdaf82c3b947dc0b8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[OH:40].[CH3:45][CH:46]([CH3:47])[CH2:48][C:49](=[O:50])[CH3:51].[Cl:1][CH2:2][CH2:3][n:4]1[c:5](=[O:15])[nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]1=[O:14].[I-:43].[K+:42].[NH2:16][c:17]1[cH:18][c:19]([O:35][CH3:36])[c:20]([C:21](=[O:22])[NH:23][CH:24]2[CH:25]([O:30][CH3:31])[CH2:26][NH:27][CH2:28][CH2:29]2)[cH:32][c:33]1[Cl:34].[Na+:41].[OH2:44]>>[CH2:2]([CH2:3][n:4]1[c:5](=[O:15])[nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]1=[O:14])[N:27]1[CH2:26][CH:25]([O:30][CH3:31])[CH:24]([NH:23][C:21]([c:20]2[c:19]([O:35][CH3:36])[cH:18][c:17]([NH2:16])[c:33]([Cl:34])[cH:32]2)=[O:22])[CH2:29][CH2:28]1