HRID1210788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID136809

Benzophenone imine

C13H11N

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

HCID634876

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

C44H32P2

结构：O=S(=O)(Oc1cccc(C23CCCC(C2)N(Cc2ccccc2)CC3)c1)C(F)(F)F

HCID86594615

未命名化合物

PRODUCTS

生成物

结构：Nc1cccc(C23CCCC(C2)N(Cc2ccccc2)CC3)c1

HCID22064584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-727c403a072648dc88fcf1e641394ad8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[NH:44].[C:45](=[O:46])([O-:47])[O-:48].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][CH2:11][CH2:12][C:13]([c:17]3[cH:18][c:19]([O:23][S:24]([C:25]([F:26])([F:27])[F:28])(=[O:29])=[O:30])[cH:20][cH:21][cH:22]3)([CH2:14][CH2:15]1)[CH2:16]2.[CH2:98]1[O:99][CH2:100][CH2:101][CH2:102]1.[ClH:97].[Cs+:49].[Cs+:50].[O-:104][C:105]([CH3:106])=[O:107].[O-:108][C:109]([CH3:110])=[O:111].[Pd+2:103].[cH:51]1[cH:52][cH:53][c:54]([P:55]([c:56]2[cH:57][cH:58][c:59]3[c:60]([cH:61][cH:62][cH:63][cH:64]3)[c:65]2-[c:66]2[c:67]3[c:68]([cH:69][cH:70][cH:71][cH:72]3)[cH:73][cH:74][c:75]2[P:76]([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)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]2[CH2:10][CH2:11][CH2:12][C:13]([c:17]3[cH:18][c:19]([NH2:44])[cH:20][cH:21][cH:22]3)([CH2:14][CH2:15]1)[CH2:16]2