HRID1202339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID114942

Titanium(4+)

Ti+4

HCID498716

未命名化合物

HCID20100157

4'-tert-Butyl[1,1'-biphenyl]-4-amine

C16H19N

HCID56593012

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(CC(C)C)Nc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1

HCID67487915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f63da75b09a543fab03107c35f946d1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[cH:22][cH:23][c:24](-[c:27]2[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[cH:25][cH:26]1.[C:41]([BH3-:42])#[N:43].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([C:10]([CH2:11][CH:12]([CH3:13])[CH3:14])=[O:15])[cH:8][cH:9]1)=[O:16].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:50][OH:51].[Cl-:52].[Cl-:54].[Cl-:55].[Cl-:56].[Cl:47][CH2:48][Cl:49].[Na+:44].[Na+:46].[OH-:45].[Ti+4:53]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[NH:33][c:30]2[cH:29][cH:28][c:27](-[c:24]3[cH:23][cH:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:26][cH:25]3)[cH:32][cH:31]2)[cH:8][cH:9]1)=[O:16]