HRID214551

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID80516

Hexane, 1-bromo-6-chloro-

C6H12BrCl

结构：C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccccc1O

HCID10224193

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccccc1OCCCCCCCl

HCID60112826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b1611fca2c84bcbb265d6b812a50e09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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