HRID135220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID10932310

N-Boc-3-Chloropropylamine

C8H16ClNO2

HCID18476207

Ethyl 7-bromo-3-hydroxynaphthalene-2-carboxylate

C13H11BrO3

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(Br)ccc2cc1OCCCNC(=O)OC(C)(C)C

HCID18476258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1495466a56e04b3ea8ad4c7aeb68db6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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