HRID934370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID710729

1-(4-BROMOPHENYLSULFONYL)-4-METHYLPIPERAZINE

C11H15BrN2O2S

HCID4574913

未命名化合物

结构：COc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1

HCID24822753

7-(2-Chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine

C15H13ClN4O

PRODUCTS

生成物

结构：COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N5CCN(C)CC5)cc4)nnc3c2)c1

HCID59837790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e056344b92849e08c9509c885761683
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[N:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[cH:27][cH:28]1.[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH2:18])[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[K+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[Pd+2:55]>>[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH:18][c:23]4[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[N:32]5[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]5)[cH:27][cH:28]4)[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1