HRID689506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：Cc1c(N)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12

HCID22179488

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12

HCID22179638

5-Methyl-4-[(4-phenoxyphenyl)amino]-6-(phenylamino)pyrrolo[1,2-b]pyridazine-3-carbonitrile

C27H21N5O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f622a59d2704a7b8832cea20104ae6c
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

[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[Cl:38][CH2:39][Cl:40].[ClH:1].[Cu+2:45].[NH2:2][c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1.[c:29]1([B:35]([OH:36])[OH:37])[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[NH:2]([c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1