HRID1219557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID16244432

未命名化合物

HCID91505469

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)C(C)CN1CCCNC1COc2ccc(Br)cc2C1

HCID178430788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dbccbfa3d3e46ce9ec7a79242a5c327
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

[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH2:7][CH:6]([NH2:12])[CH2:5]2.[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[N:20]1[CH:21]([CH3:31])[CH2:22][N:23]([CH2:27][CH2:28][CH2:29][Cl:30])[CH:24]([CH3:26])[CH2:25]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[O:8][CH2:7][CH:6]([NH:12][CH2:29][CH2:28][CH2:27][N:23]1[CH2:22][CH:21]([CH3:31])[N:20]([C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH2:25][CH:24]1[CH3:26])[CH2:5]2