HRID959805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID27284

Fe +2 ion

Fe+2

结构：CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C1

HCID52987621

tert-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

C20H30BNO4

结构：CC(C)(C)OC(=O)N1CCc2cccc(B3OC(C)(C)C(C)(C)O3)c2C1

HCID66734880

未命名化合物

HCID86615160

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(-c3cnc(C(F)(F)F)nc3)ccc2C1

HCID86618203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61c52915fb524c0596fa8900cb7d1db0
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:117][CH2:118][OH:119].[CH3:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:16]([cH:17][cH:18]2)[CH2:15][N:14]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:13][CH2:12]3)[O:26]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][cH:38][c:39]3[c:40]2[CH2:41][N:42]([C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:50][CH2:51]3)[O:52]1.[F:53][C:54]([F:55])([F:56])[S:57]([O:58][c:59]1[cH:60][n:61][c:62]([C:65]([F:66])([F:67])[F:68])[n:63][cH:64]1)(=[O:69])=[O:70].[Fe+2:116].[Na+:71].[Na+:72].[O-:73][C:74](=[O:75])[O-:76].[Pd:77]([Cl:78])[Cl:79].[cH:80]1[cH:81][cH:82][c:83]([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c-:91]2[cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97]1.[cH:98]1[cH:99][cH:100][c:101]([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c-:109]2[cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:9]1(-[c:59]2[cH:60][n:61][c:62]([C:65]([F:66])([F:67])[F:68])[n:63][cH:64]2)[cH:10][c:11]2[c:16]([cH:17][cH:18]1)[CH2:15][N:14]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:13][CH2:12]2