HRID823889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID27284

Fe +2 ion

Fe+2

HCID45786429

2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C14H20BNO2

结构：CC(C)(C)OC(=O)N1CCc2cc(OS(=O)(=O)C(F)(F)F)ncc2C1

HCID86625015

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2cc(-c3ccc(C4CC4)nc3)ncc2C1

HCID66734762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6b640f5d1544c6b946e544f94c80993
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:50][CH2:51][OH:52].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[CH:26]1([c:29]2[n:30][cH:31][c:32]([B:35]3[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]3)[cH:33][cH:34]2)[CH2:27][CH2:28]1.[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]2[c:14]([cH:15][n:16]1)[CH2:13][N:12]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:11][CH2:10]2)(=[O:24])=[O:25].[Fe+2:93].[Na+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[OH2:53].[Pd:54]([Cl:55])[Cl:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c-:68]2[cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74]1.[cH:75]1[cH:76][cH:77][c:78]([P: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]2)[cH:91][cH:92]1>>[c:7]1(-[c:32]2[cH:31][n:30][c:29]([CH:26]3[CH2:27][CH2:28]3)[cH:34][cH:33]2)[cH:8][c:9]2[c:14]([cH:15][n:16]1)[CH2:13][N:12]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:11][CH2:10]2