HRID211258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID529218

Ethanamine, mono-TMS

C8H21NOSi

结构：COC(=O)CC1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)c(F)c2)CC1

HCID59302517

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1CCC(c2ccc(NCCO[Si](C)(C)C(C)(C)C)c(F)c2)CC1

HCID59302498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61003fa05fe14b61a225e481cb3cfcc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:27]([CH3:28])([CH3:29])([CH3:30])[Si:31]([O:32][CH2:33][CH2:34][NH2:35])([CH3:36])[CH3:37].[C:38](=[O:39])([O-:40])[O-:41].[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[Cs+:42].[Cs+:43].[F:1][c:2]1[cH:3][c:4]([CH:16]2[CH2:17][CH2:18][CH:19]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15].[Pd+2:61]>>[F:1][c:2]1[cH:3][c:4]([CH:16]2[CH2:17][CH2:18][CH:19]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[NH:35][CH2:34][CH2:33][O:32][Si:31]([C:27]([CH3:28])([CH3:29])[CH3:30])([CH3:36])[CH3:37]