HRID2142321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID78282

Benzoyl chloride, 3,4,5-trimethoxy-

C10H11ClO4

HCID15460400

(+)-3-(3,4-Dichlorophenyl)-3-piperidineethanol

C13H17Cl2NO

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCCC(CCO)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

HCID18464514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e20cf6baa7945cf8928eb135da20b56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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