HRID1541683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID139377

Methylboronic acid

CH5BO2

结构：O=Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(Cl)nc2)c1

HCID86630978

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：Cc1ccc(S(=O)(=O)n2cc(C=O)cc2-c2ccccc2F)cn1

HCID86630979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4ed7c1259f6426b8bc9dbfe7005f439
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH2:117]1[O:118][CH2:119][CH2:120][O:121][CH2:122]1.[CH3:25][B:26]([OH:27])[OH:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[n:11]2[cH:12][c:13]([CH:23]=[O:24])[cH:14][c:15]2-[c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)[cH:6][n:7]1.[K+:33].[K+:34].[Na+:35].[OH:36][C:37](=[O:38])[O-:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([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)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([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)[cH:115][cH:116]1>>[c:2]1([CH3:25])[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[n:11]2[cH:12][c:13]([CH:23]=[O:24])[cH:14][c:15]2-[c:16]2[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]2)[cH:6][n:7]1