HRID816702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID44159845

未命名化合物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncccc1-c1cc(CBr)no1

HCID57867418

未命名化合物

结构：Cc1cc(-c2cccnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)on1

HCID67446064

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1

HCID25114167

1,3-Bis(1,1-dimethylethyl) 2-[3-[3-[[4-[(2-pyridinyloxy)methyl]phenyl]methyl]-5-isoxazolyl]-2-pyridinyl]imidodicarbonate

C31H34N4O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fb74c57ca3e4f4982af36ae295461f5
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

[Br:1][CH2:2][c:3]1[n:4][o:5][c:6](-[c:8]2[c:9]([N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[n:10][cH:11][cH:12][cH:13]2)[cH:7]1.[C:100]([O-:101])(=[O:102])[CH3:103].[C:105]([O-:106])(=[O:107])[CH3:108].[CH3:110][CH2:111][O:112][C:113](=[O:114])[CH3:115].[CH3:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[CH3:73][c:74]1[cH:75][c:76](-[c:77]2[c:78]([N:79]([C:80]([O:81][C:82]([CH3:83])([CH3:84])[CH3:85])=[O:86])[C:87]([O:88][C:89]([CH3:90])([CH3:91])[CH3:92])=[O:93])[n:94][cH:95][cH:96][cH:97]2)[o:98][n:99]1.[K+:51].[K+:52].[K+:53].[OH2:109].[P:46]([O-:47])([O-:48])([O-:49])=[O:50].[Pd+2:104].[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[n:29]1[c:30]([O:35][CH2:36][c:37]2[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]2)[cH:31][cH:32][cH:33][cH:34]1>>[CH2:2]([c:3]1[n:4][o:5][c:6](-[c:8]2[c:9]([N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[n:10][cH:11][cH:12][cH:13]2)[cH:7]1)[c:40]1[cH:39][cH:38][c:37]([CH2:36][O:35][c:30]2[n:29][cH:34][cH:33][cH:32][cH:31]2)[cH:42][cH:41]1