HRID678013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16035

Ethane, 1-chloro-2-isocyanato-

C3H4ClNO

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(N)c1)=NC(C)(C)C2

HCID17842929

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(NC(=O)NCCCl)c1)=NC(C)(C)C2

HCID22344236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28222f8d286043e3b6412116ce80ee4a
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

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