HRID107860

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

HCID6605262

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

C9H10ClNO3

结构：CC1(C)OB(c2ccc(F)c3c(=O)c4ccccc4sc23)OC1(C)C

HCID22139435

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：O=c1cc(-c2ccc(F)c3c(=O)c4ccccc4sc23)oc(N2CCOCC2)c1

HCID22139407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30464d7918064a0c99582dc12e55c3d1
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:40](=[O:41])([O-:42])[O-:43].[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.[F:15][c:16]1[cH:17][cH:18][c:19]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[c:20]2[s:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[c:28](=[O:30])[c:29]12.[K+:44].[K+:45].[N:46]#[N:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([F:15])[c:29]3[c:20]2[s:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[c:28]3=[O:30])[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