HRID103238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734376

Phenoxathiin-4-boronic acid

C12H9BO3S

HCID6605262

4H-Pyran-4-one, 2-chloro-6-(4-morpholinyl)-

C9H10ClNO3

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：O=c1cc(-c2cccc3c2Oc2ccccc2S3)oc(N2CCOCC2)c1

HCID22139452

2-(4-Morpholinyl)-6-(4-phenoxathiinyl)-4H-pyran-4-one

C21H17NO4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f43bc36109f944d9a70f952d144fac17
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

[C:32](=[O:33])([O-:34])[O-:35].[Cl:1][c:2]1[o:3][c:4]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:5][c:6](=[O:8])[cH:7]1.[K+:36].[K+:37].[N:38]#[N:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[cH:15]1[cH:16][cH:17][c:18]([B:29]([OH:30])[OH:31])[c:19]2[c:28]1[S:27][c:26]1[c:21]([cH:22][cH:23][cH:24][cH:25]1)[O:20]2.[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:18]2[cH:17][cH:16][cH:15][c:28]3[c:19]2[O:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[S:27]3)[o:3][c:4]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[cH:5][c:6](=[O:8])[cH:7]1