HRID686884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

结构：CC(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O

HCID58160370

未命名化合物

PRODUCTS

生成物

结构：CC(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

HCID178442083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6fae15e15f6400eaf13896a5a96bbc2
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

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