HRID197974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734624

4-Hydroxyphenylboronic acid pinacol ester

C12H17BO3

结构：Cc1cn2c(Br)cnc2c(NCc2ccc(S(N)(=O)=O)cc2)n1

HCID58337164

未命名化合物

PRODUCTS

生成物

结构：Cc1cn2c(-c3ccc(O)cc3)cnc2c(NCc2ccc(S(N)(=O)=O)cc2)n1

HCID135998305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91c28aefaeb44de8aa15bee140de3fc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[cH:7][c:8]([CH3:23])[n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1.[CH3:24][C:25]1([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30][B:31]([c:32]2[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]2)[O:39]1.[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46].[Pd+2:52]>>[c:2]1(-[c:32]2[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][c:8]([CH3:23])[n:9][c:10]2[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]1