HRID94488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734330

3,4-Dichlorophenylboronic acid

C6H5BCl2O2

结构：COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1

HCID15221936

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：COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1

HCID46855924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84e8ee5d7b914e97b94a2b172b0f143f
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:37](=[O:38])([O-:39])[O-:40].[CH3:122][CH2:123][OH:124].[CH3:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[Cl-:43].[Cl:26][c:27]1[cH:28][c:29]([B:34]([OH:35])[OH:36])[cH:30][cH:31][c:32]1[Cl:33].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][C:7]1=[C:8]([C:20](=[O:21])[O:22][CH3:23])[CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1)(=[O:24])=[O:25].[NH4+:44].[Na+:41].[Na+:42].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([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)[cH:120][cH:121]1>>[C:7]1([c:29]2[cH:28][c:27]([Cl:26])[c:32]([Cl:33])[cH:31][cH:30]2)=[C:8]([C:20](=[O:21])[O:22][CH3:23])[CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1