HRID800669

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID25129478

未命名化合物

结构：COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(I)c1

HCID68455181

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：COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3c(N4CCOCC4)nncc3c2)c1

HCID68452508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25e827480e0e4853bad1c8bf8524b20a
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:29][c:30]1[cH:31][c:32]2[cH:33][n:34][n:35][c:36]([N:40]3[CH2:41][CH2:42][O:43][CH2:44][CH2:45]3)[c:37]2[cH:38][cH:39]1.[CH3:135][CH2:136][OH:137].[CH3:25][C:26](=[O:27])[O-:28].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[I:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[c:9]([O:18][CH3:19])[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[cH:20][cH:21][c:22]1[CH3:23].[K+:24].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[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][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1(-[c:30]2[cH:31][c:32]3[cH:33][n:34][n:35][c:36]([N:40]4[CH2:41][CH2:42][O:43][CH2:44][CH2:45]4)[c:37]3[cH:38][cH:39]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[c:9]([O:18][CH3:19])[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[cH:20][cH:21][c:22]1[CH3:23]