HRID1545709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID3861343

cyclopenten-1-ylboronic acid

C5H9BO2

结构：CC(C)c1cc2c(c(OS(=O)(=O)C(F)(F)F)c1C=O)C(=O)CC(C)(C)O2

HCID58002992

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(C)c1cc2c(c(C3=CCCC3)c1C=O)C(=O)CC(C)(C)O2

HCID58002958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da080108422740e194ac7066d2e3fe1d
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:27]1([B:32]([OH:33])[OH:34])=[CH:28][CH2:29][CH2:30][CH2:31]1.[Cl-:43].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8]2[c:13]([cH:14][c:15]([CH:19]([CH3:20])[CH3:21])[c:16]1[CH:17]=[O:18])[O:12][C:11]([CH3:22])([CH3:23])[CH2:10][C:9]2=[O:24])(=[O:25])=[O:26].[K+:40].[K+:41].[K+:42].[NH4+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:7]1([C:27]2=[CH:28][CH2:29][CH2:30][CH2:31]2)[c:8]2[c:13]([cH:14][c:15]([CH:19]([CH3:20])[CH3:21])[c:16]1[CH:17]=[O:18])[O:12][C:11]([CH3:22])([CH3:23])[CH2:10][C:9]2=[O:24]