HRID1214674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID16028

Tetrabutylammonium

C16H36N+

HCID166653

Hydride

H-

HCID18007284

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc2c(c1)CC(NCc1ccccc1)CCC2

HCID18007287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31b2f803270c454686491e089a0682e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:39].[Br:23][CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][c:13]2[c:14]([cH:16][c:17]([OH:20])[cH:18][cH:19]2)[CH2:15]1.[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl-:30].[H-:21].[NH4+:31].[Na+:22]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][c:13]2[c:14]([cH:16][c:17]([O:20][CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[cH:18][cH:19]2)[CH2:15]1