HRID316262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6328

Methyl iodide

CH3I

结构：COc1cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1

HCID9913417

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CC(C)(C)N(C)C(C)(C)C2)ccc1-c1nc2cc(Cl)c(Cl)cc2n1C

HCID9827427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56d02a99d65f487d94636b8b0afea91e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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