HRID306821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID69993

4-Methyloxybenzyl chloride

C8H9ClO

HCID11367798

5H,7H-Dibenzo[b,d]azepin-6-one

C14H11NO

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)Cc3ccccc3-c3ccccc32)cc1

HCID21072524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4941e5d21fa148faa06aabc4719943bd
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

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