HRID123209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID574072

Trimethylboroxine

C3H9B3O3

结构：CC(C)(C)OC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]

HCID69489376

1,1-Dimethylethyl N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]carbamate

C12H12ClF3N2O4

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：Cc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F

HCID69486745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5307b58ff1014aaa9cff5f79793bb849
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:19](=[O:20])[O-:21])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([Cl:14])[cH:13]1)=[O:22].[C:23](=[O:24])([O-:25])[O-:26].[CH3:29][B:30]1[O:31][B:32]([CH3:33])[O:34][B:35]([CH3:36])[O:37]1.[K+:27].[K+:28].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:38].[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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:19](=[O:20])[O-:21])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:23])[cH:13]1)=[O:22]