HRID293817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID31203

Benzyl hexadecyl dimethyl ammonium

C25H46N+

结构：CC(=O)C1(CN(Cc2ccccc2)Cc2ccccc2)CCOC1=O

HCID10268706

未命名化合物

PRODUCTS

生成物

HCID18377523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aecabcf6814c4df6b2da4e40af6f7195
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

[C:1](=[O:2])([CH3:3])[C:4]1([CH2:10][N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C:5](=[O:9])[O:6][CH2:7][CH2:8]1.[CH2:29]([N+:30]([CH3:31])([CH3:32])[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[Cl-:28].[Na+:27].[OH-:26]>>[CH:4]1([CH2:10][N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C:5](=[O:9])[O:6][CH2:7][CH2:8]1