HRID135981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID634876

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

C44H32P2

HCID16733784

(Piperazin-1-yl)[2-(trifluoromethyl)phenyl]methanone

C12H13F3N2O

结构：O=C(NCCCc1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cn1

HCID86609725

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

HCID11352447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a24c5983f66344d4b4f84b77f56d9f51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:104]([O-:105])(=[O:106])[CH3:107].[C:108]([O-:109])(=[O:110])[CH3:111].[C:1](=[O:2])([O-:3])[O-:4].[CH3:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Cs+:5].[Cs+:6].[N:79]1([C:85](=[O:86])[c:87]2[c:88]([C:93]([F:94])([F:95])[F:96])[cH:89][cH:90][cH:91][cH:92]2)[CH2:80][CH2:81][NH:82][CH2:83][CH2:84]1.[Pd+2:112].[c:53]1([CH2:59][CH2:60][CH2:61][NH:62][C:63](=[O:64])[c:65]2[cH:66][cH:67][c:68]([O:71][S:72]([C:73]([F:74])([F:75])[F:76])(=[O:77])=[O:78])[cH:69][n:70]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[cH:7]1[cH:8][cH:9][c:10]([P:11]([c:12]2[cH:13][cH:14][c:15]3[c:16]([cH:17][cH:18][cH:19][cH:20]3)[c:21]2-[c:22]2[c:23]3[c:24]([cH:25][cH:26][cH:27][cH:28]3)[cH:29][cH:30][c:31]2[P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52]1>>[c:53]1([CH2:59][CH2:60][CH2:61][NH:62][C:63](=[O:64])[c:65]2[cH:66][cH:67][c:68]([N:82]3[CH2:81][CH2:80][N:79]([C:85](=[O:86])[c:87]4[c:88]([C:93]([F:94])([F:95])[F:96])[cH:89][cH:90][cH:91][cH:92]4)[CH2:84][CH2:83]3)[cH:69][n:70]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1