HRID103629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2736209

(2,4-Dimethoxypyrimidin-5-yl)boronic acid

C6H9BN2O4

结构：O=C(NCc1cn(-c2ccc(I)cc2)nn1)c1ccc(Cl)s1

HCID57640693

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2ccc(-n3cc(CNC(=O)c4ccc(Cl)s4)nn3)cc2)c(OC)n1

HCID24990944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-329428cbf23549ecb9bb27afef13c28a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:23][O:24][c:25]1[n:26][cH:27][c:28]([B:33]([OH:34])[OH:35])[c:29]([O:31][CH3:32])[n:30]1.[CH3:42][C:43]#[N:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][n:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([I:22])[cH:20][cH:21]3)[cH:15]2)[s:6]1.[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[OH2:45].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][n:13][n:14](-[c:16]3[cH:17][cH:18][c:19](-[c:28]4[cH:27][n:26][c:25]([O:24][CH3:23])[n:30][c:29]4[O:31][CH3:32])[cH:20][cH:21]3)[cH:15]2)[s:6]1