HRID215455

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

HCID2773430

5-Formyl-2-thiopheneboronic acid

C5H5BO3S

结构：CC(Oc1c(N)ncc2c(Br)coc12)c1c(Cl)ccc(F)c1Cl

HCID67402284

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：CC(Oc1c(N)ncc2c(-c3ccc(C=O)s3)coc12)c1c(Cl)ccc(F)c1Cl

HCID76618393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63d66371dd5942989c4ae0518ce43521
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][o:4][c:5]2[c:6]1[cH:7][n:8][c:9]([NH2:23])[c:10]2[O:11][CH:12]([CH3:13])[c:14]1[c:15]([Cl:22])[c:16]([F:21])[cH:17][cH:18][c:19]1[Cl:20].[C:34](=[O:35])([O-:36])[O-:37].[CH:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([B:31]([OH:32])[OH:33])[s:30]1.[K+:38].[K+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:123].[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>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([CH:24]=[O:25])[s:30]2)[cH:3][o:4][c:5]2[c:6]1[cH:7][n:8][c:9]([NH2:23])[c:10]2[O:11][CH:12]([CH3:13])[c:14]1[c:15]([Cl:22])[c:16]([F:21])[cH:17][cH:18][c:19]1[Cl:20]