HRID1123723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

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：CCOC(=O)CC1CCCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)C1

HCID59464250

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC1CCCC(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2)C1

HCID59464258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41c6284a8a444af985bd8a79ca5dade9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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