HRID799602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21939771

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(N(c2ccc(F)c(Cl)c2)c2ccc(Br)cn2)C1

HCID66688590

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)(C)OC(=O)N1CCC(N(c2ccc(F)c(Cl)c2)c2ccc(-c3ccc(F)cc3)cn2)C1

HCID66657351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0afb453f6cf94c5487f65a13e32f7a78
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]([c:14]2[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]2)[c:22]2[n:23][cH:24][c:25]([Br:28])[cH:26][cH:27]2)[CH2:11][CH2:12]1.[CH3:131][CH2:132][O:133][C:134](=[O:135])[CH3:136].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[F:29][c:30]1[cH:31][cH:32][c:33]([O:36][B:37]([OH:38])[OH:39])[cH:34][cH:35]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:130].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([N:13]([c:14]2[cH:15][c:16]([Cl:21])[c:17]([F:20])[cH:18][cH:19]2)[c:22]2[n:23][cH:24][c:25](-[c:33]3[cH:32][cH:31][c:30]([F:29])[cH:35][cH:34]3)[cH:26][cH:27]2)[CH2:11][CH2:12]1