HRID2322672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID68958

4-Aminopyrimidine

C4H5N3

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID119047

Phenoxide

C6H5O-

HCID23092481

6-Chloro-4-iodo-3-methoxypyridazine

C5H4ClIN2O

PRODUCTS

生成物

HCID58540288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02dc0dbdc98248cfa8b7b36db5b41372
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][c:4]([I:10])[c:5]([O:8][CH3:9])[n:6][n:7]1.[NH2:11][c:12]1[n:13][cH:14][n:15][cH:16][cH:17]1.[Na+:25].[O-:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[O:28]=[C:29]([CH:30]=[CH:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Pd:26].[Pd:27]>>[Cl:1][c:2]1[cH:3][c:4]([NH:11][c:12]2[n:13][cH:14][n:15][cH:16][cH:17]2)[c:5]([O:8][CH3:9])[n:6][n:7]1