HRID315924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1Br

HCID86658039

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：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1-c1ccncc1

HCID67432291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a2aafbf2e3b4a648e8655e217148489
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:10][c:11]1[c:12]([CH3:33])[cH:13][c:14]([C:16]2=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[CH2:20]2)[s:15]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[OH2:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1.[n:1]1[cH:2][cH:3][c:4]([B:7]([OH:8])[OH:9])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:11]2[c:12]([CH3:33])[cH:13][c:14]([C:16]3=[N:17][O:18][C:19]([C:21]([F:22])([F:23])[F:24])([c:25]4[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]4)[CH2:20]3)[s:15]2)[cH:5][cH:6]1