HRID693223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：CC(C)(C)c1cc(Nc2cccc(C(=O)O)c2)cc(C(C)(C)C)c1O

HCID60194

3-[(3,5-di-tert-butyl-4-hydroxyphenyl)amino]benzoic acid

C21H27NO3

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)c1cc(Nc2cccc(CO)c2)cc(C(C)(C)C)c1O

HCID13960411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d11e018255594829984f146ade5c791b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Al+3:27].[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([NH:10][c:11]2[cH:12][c:13]([C:22]([CH3:23])([CH3:24])[CH3:25])[c:14]([OH:21])[c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]2)[cH:7][cH:8][cH:9]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH2:39]([O:40][CH2:41][CH3:42])[CH3:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:33].[H-:26].[H-:29].[H-:30].[H-:31].[Li+:28].[OH2:32]>>[CH2:1]([OH:2])[c:4]1[cH:5][c:6]([NH:10][c:11]2[cH:12][c:13]([C:22]([CH3:23])([CH3:24])[CH3:25])[c:14]([OH:21])[c:15]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:16]2)[cH:7][cH:8][cH:9]1.[ClH:33]