HRID145066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

HCID68574963

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CNc1cc(-c2cccnc2)c2cc(Cl)ccc2n1

HCID68574847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bc48e831c38403389748f70dae9fbc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH:13][CH2:14][c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[n:5][c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][c:11]12.[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:51]([CH2:52][O:53][CH3:54])[O:55][CH3:56].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[Pd+2:67].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1.[n:23]1[cH:24][c:25]([B:29]([OH:30])[OH:31])[cH:26][cH:27][cH:28]1>>[c:2]1(-[c:25]2[cH:24][n:23][cH:28][cH:27][cH:26]2)[cH:3][c:4]([NH:13][CH2:14][c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[n:5][c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][c:11]12