HRID2136718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

2 次

HCID166653

Hydride

H-

4 次

结构：COc1ccc(CC(=O)Nc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1

HCID10276991

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCNc2c(C)c(C)c3c(c2C)C(c2ccc(C(C)C)cc2)C(C)(C)O3)cc1

HCID9933828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c24be7d72ed4a478a980fab3199fbba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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