HRID1550939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7901

Ethanamine, 2-chloro-N,N-dimethyl-

C4H10ClN

HCID8471

Triethylamine

C6H15N

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

PRODUCTS

生成物

结构：CN(C)CCOC(=O)c1cccc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

HCID22401581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2d66ba341b34e439c6b5cdad380b7d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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