HRID1559640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID22328963

Methyl 7-bromo-2,3-dihydro-1H-1-benzazepine-4-carboxylate

C12H12BrNO2

HCID178450557

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(C)Oc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3)cc1

HCID22329274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1e5acad72b945f89b1d24c2019fafb3
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

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