HRID683492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：CSc1ncc2cc(-c3c(Cl)ccc(NC(=O)c4cccc(C(F)(F)F)c4)c3Cl)c(=O)[nH]c2n1

HCID59833903

未命名化合物

PRODUCTS

生成物

结构：CSc1ncc2cc(-c3c(Cl)ccc(NC(=O)c4cccc(C(F)(F)F)c4)c3Cl)c(=O)n(C)c2n1

HCID59833840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9e1bac6df7648a9b1e8de3fe77aa425
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

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