HRID683967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID2337

Benzocaine

C9H11NO2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID30165

Iodide ion

I-

HCID290151

1-Chloro-8-phenyloctane

C14H21Cl

PRODUCTS

生成物

HCID13079665

Ethyl 4-[(8-phenyloctyl)amino]benzoate

C23H31NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31a8edd993e740739009001341b6d4ee
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

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