HRID1233530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID4574913

未命名化合物

结构：COc1ccc(N(C(=O)NC(C)c2ccccc2)C(C)c2cnc(Cl)nc2Cl)cc1

HCID21946002

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2C(=O)N(C(C)c3ccccc3)c3nc(Cl)ncc3C2C)cc1

HCID21946009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-867b36661cd04706a1333509f2839e46
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

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