HRID93776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID136809

Benzophenone imine

C13H11N

结构：c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1

HCID4285986

[Oxydi(2,1-phenylene)]bis(diphenylphosphane)

C36H28OP2

结构：COc1ccc(COc2ccc3ccccc3c2-c2c(OS(=O)(=O)C(F)(F)F)ccc3ccccc23)cc1

HCID11092738

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COc2ccc3ccccc3c2-c2c(N)ccc3ccccc23)cc1

HCID10905566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2b50e3d0bf348d6b2fcae96aa565fce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:104]([O-:105])(=[O:106])[CH3:107].[C:109]([O-:110])(=[O:111])[CH3:112].[C:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)=[NH:52].[C:92](=[O:93])([O-:94])[O-:95].[CH3:113][CH2:114][N:115]([CH2:116][CH3:117])[CH2:118][CH3:119].[CH3:98][CH2:99][O:100][C:101](=[O:102])[CH3:103].[Cs+:96].[Cs+:97].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[c:8](-[c:17]2[c:18]([O:27][CH2:28][c:29]3[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[cH:19][cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1)(=[O:37])=[O:38].[Pd+2:108].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[O:67][c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1>>[c:7]1([NH2:52])[c:8](-[c:17]2[c:18]([O:27][CH2:28][c:29]3[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[cH:19][cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1