HRID2350810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21966431

未命名化合物

结构：Cc1cc2c(cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CC2(C)C

HCID21966467

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：COc1c(F)cc(C=O)c(F)c1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C

HCID21966466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7188ba663744af6a3cb8ccd64ae18ae
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:25][c:26]1[c:27]([F:37])[c:28]([CH:29]=[O:30])[cH:31][c:32]([F:36])[c:33]1[O:34][CH3:35].[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][N:2]1[C:3](=[O:24])[CH2:4][C:5]([CH3:22])([CH3:23])[c:6]2[cH:7][c:8]([CH3:21])[c:9]([B:12]3[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]3)[cH:10][c:11]21.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][OH:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[K+:42].[K+:43].[OH2:54].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[CH3:1][N:2]1[C:3](=[O:24])[CH2:4][C:5]([CH3:22])([CH3:23])[c:6]2[cH:7][c:8]([CH3:21])[c:9](-[c:26]3[c:27]([F:37])[c:28]([CH:29]=[O:30])[cH:31][c:32]([F:36])[c:33]3[O:34][CH3:35])[cH:10][c:11]21