HRID2133127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID57799432

未命名化合物

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

结构：COCn1nc2c(-c3ccc(Cl)cc3)c(Br)ccn2c1=O

HCID57799369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bec7f4b1063e4c55a22d8ada8058fbe1
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[c:3]([I:15])[c:4]2[n:5]([cH:6][cH:7]1)[c:8](=[O:14])[n:9]([CH2:11][O:12][CH3:13])[n:10]2.[CH2:32]1[O:33][CH2:34][CH2:35][O:36][CH2:37]1.[Cl:16][c:17]1[cH:18][cH:19][c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1.[K+:26].[K+:27].[O-:28][C:29]([O-:30])=[O:31].[OH2:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[Br:1][c:2]1[c:3](-[c:20]2[cH:19][cH:18][c:17]([Cl:16])[cH:22][cH:21]2)[c:4]2[n:5]([cH:6][cH:7]1)[c:8](=[O:14])[n:9]([CH2:11][O:12][CH3:13])[n:10]2