HRID212085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID4141523

未命名化合物

结构：CC(C)(C)OC(=O)NC1Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

HCID22719604

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(C=Cc2ccc3c(c2)CC(NC(=O)OC(C)(C)C)C3)cc1

HCID69849233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69579f21baa0439c818bb324ba0393b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][c:11]2[cH:12][cH:13][c:14]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[cH:15][c:16]2[CH2:17]1.[CH3:123][CH2:124][OH:125].[CH3:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[CH3:26][c:27]1[cH:28][cH:29][c:30]([CH:33]=[CH:34][B:35]([OH:36])[OH:37])[cH:31][cH:32]1.[Cl-:45].[Li+:44].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][c:11]2[cH:12][cH:13][c:14]([CH:34]=[CH:33][c:30]3[cH:29][cH:28][c:27]([CH3:26])[cH:32][cH:31]3)[cH:15][c:16]2[CH2:17]1