HRID111809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID10485

Propane, 2-bromo-2-methyl-

C4H9Br

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID21948636

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)OC(C)(C)C)cc1

HCID178465380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ea99c739c4e4183985613c2e44cb37a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:29][C:30]([CH3:31])([CH3:32])[CH3:33].[C:23](=[O:24])([O-:25])[O-:26].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH3:13])[c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]1.[CH2:36]([N+:37]([CH2:38][CH3:39])([CH2:40][CH3:41])[CH2:42][CH3:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][N:51]([CH3:52])[C:53](=[O:54])[CH3:55].[Cl-:35].[K+:27].[K+:28].[OH2:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH3:13])[c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:21][cH:22]1