HRID691663

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：Cc1ccc(S(=O)(=O)OCc2cc(-c3cccnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)on2)cc1

HCID58488959

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-a964772ede7d45ac89ea4f44ae77cb9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:110]([O-:111])(=[O:112])[CH3:113].[C:115]([O-:116])(=[O:117])[CH3:118].[CH3:120][CH2:121][O:122][C:123](=[O:124])[CH3:125].[CH3:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][c:13]2[n:14][o:15][c:16](-[c:18]3[c:19]([N:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[n:20][cH:21][cH:22][cH:23]3)[cH:17]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:83][c:84]1[cH:85][c:86](-[c:87]2[c:88]([N:89]([C:90]([O:91][C:92]([CH3:93])([CH3:94])[CH3:95])=[O:96])[C:97]([O:98][C:99]([CH3:100])([CH3:101])[CH3:102])=[O:103])[n:104][cH:105][cH:106][cH:107]2)[o:108][n:109]1.[K+:61].[K+:62].[K+:63].[OH2:119].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd+2:114].[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[n:39]1[c:40]([O:45][CH2:46][c:47]2[cH:48][cH:49][c:50]([B:53]([OH:54])[OH:55])[cH:51][cH:52]2)[cH:41][cH:42][cH:43][cH:44]1>>[CH2:12]([c:13]1[n:14][o:15][c:16](-[c:18]2[c:19]([N:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[n:20][cH:21][cH:22][cH:23]2)[cH:17]1)[c:50]1[cH:49][cH:48][c:47]([CH2:46][O:45][c:40]2[n:39][cH:44][cH:43][cH:42][cH:41]2)[cH:52][cH:51]1