HRID2319252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID521008

1-Bromo-4-(trifluoromethoxy)benzene

C7H4BrF3O

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID17750356

tert-Butyl 4-(piperidin-4-yl)piperazine-1-carboxylate

C14H27N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC1

HCID23081198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4ee1e5af9104e6388250597907c7736
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:91]([O-:92])(=[O:93])[CH3:94].[C:96]([O-:97])(=[O:98])[CH3:99].[CH3:100][CH2:101][O:102][C:103](=[O:104])[CH3:105].[CH3:78][C:79]([CH3:80])([O-:81])[CH3:82].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[F:20][C:21]([O:22][c:23]1[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]1)([F:30])[F:31].[NH:1]1[CH2:2][CH2:3][CH:4]([N:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1.[Na+:83].[Pd+2:95].[cH:32]1[cH:33][cH:34][c:35]([P:36]([c:37]2[cH:38][cH:39][c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[c:46]2-[c:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[cH:54][cH:55][c:56]2[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)[cH:76][cH:77]1>>[N:1]1([c:26]2[cH:25][cH:24][c:23]([O:22][C:21]([F:20])([F:30])[F:31])[cH:28][cH:27]2)[CH2:2][CH2:3][CH:4]([N:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]2)[CH2:5][CH2:6]1