HRID2150312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID15332564

6-Bromo-1,2,4-triazin-3-amine

C3H3BrN4

HCID23005335

[3-Chloro-4-(methoxycarbonyl)phenyl]boronic acid

C8H8BClO4

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID57516524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c0c38e1c7214b5a97c6e43232370ac8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([NH2:8])[n:6][n:7]1.[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[Cl:9][c:10]1[cH:11][c:12]([B:20]([OH:21])[OH:22])[cH:13][cH:14][c:15]1[C:16](=[O:17])[O:18][CH3:19].[K+:28].[K+:29].[K+:30].[OH2:37].[P:23]([O-:24])([O-:25])([O-:26])=[O:27].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1(-[c:12]2[cH:11][c:10]([Cl:9])[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:13]2)[cH:3][n:4][c:5]([NH2:8])[n:6][n:7]1