HRID153003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID74786

4-Pentenoic acid, ethyl ester

C7H12O2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

结构：CC(C)(C)OC(=O)NC1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

HCID23286101

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)CCCCc1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CC2

HCID178471290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0274788420a54ea3a669d8ab7a18ddb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH2:2][CH2:3][CH:4]=[CH2:5])(=[O:6])[O:7][CH2:8][CH3:9].[CH2:136]1[O:137][CH2:138][CH2:139][O:140][CH2:141]1.[CH:10]12[CH2:11][CH2:12][CH2:13][CH:14]([BH:15]1)[CH2:16][CH2:17][CH2:18]2.[F:19][C:20]([F:21])([F:22])[S:23]([O:24][c:25]1[cH:26][cH:27][c:28]2[c:33]([cH:34]1)[CH2:32][CH:31]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:30][CH2:29]2)(=[O:43])=[O:44].[K+:50].[K+:51].[K+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:135].[P:45]([O-:46])([O-:47])([O-:48])=[O:49].[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:1]([CH2:2][CH2:3][CH2:4][CH2:5][c:25]1[cH:26][cH:27][c:28]2[c:33]([cH:34]1)[CH2:32][CH:31]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:30][CH2:29]2)(=[O:6])[O:7][CH2:8][CH3:9]