HRID2318106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID58208011

未命名化合物

结构：CC(C)N(C(=O)OC(C)(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)s1

HCID58688452

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn2cc(-c3cnc(N(C(=O)OC(C)(C)C)C(C)C)s3)cc(-c3ccccc3)c2n1

HCID58208025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f4027af5b3a4c27b6c3193a3c3db353
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:5]2[n:6]([cH:7]1)[cH:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:10]2.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:68][CH2:69][OH:70].[CH:22]([CH3:23])([CH3:24])[N:25]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:33]1[s:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][n:37]1.[K+:52].[K+:53].[K+:54].[P:47]([O-:48])([O-:49])([O-:50])=[O:51].[cH:71]1[cH:72][cH:73][c:74]([P:75]([Pd:76]([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([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][cH:114]2)[P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)([c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[c:140]2[cH:141][cH:142][cH:143][cH:144][cH:145]2)[cH:146][cH:147]1>>[c:2]1(-[c:35]2[s:34][c:33]([N:25]([CH:22]([CH3:23])[CH3:24])[C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[n:37][cH:36]2)[cH:3][c:4](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:5]2[n:6]([cH:7]1)[cH:8][c:9]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:10]2