HRID812060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID11379045

1-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C11H19BN2O2

结构：O=C(O)c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F

HCID59492721

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2cc(C(=O)O)c3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)cn1

HCID59493100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f02b8c6df7f34c3c816c90d6eaf319b7
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

[CH2:23]([CH3:24])[n:25]1[n:26][cH:27][c:28]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:29]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH:47]1([P:48]([CH:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2-[c:61]2[c:62]([O:63][CH3:64])[cH:65][cH:66][cH:67][c:68]2[O:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1.[Cl:1][c:2]1[cH:3][c:4]2[c:12]([c:13]([C:15](=[O:16])[OH:17])[cH:14]1)-[c:11]1[c:6]([cH:7][cH:8][cH:9][cH:10]1)[C:5]2([C:18]([F:19])([F:20])[F:21])[OH:22].[ClH:76].[K+:44].[K+:45].[K+:46].[O:84]1[CH2:85][CH2:86][O:87][CH2:88][CH2:89]1.[OH2:83].[P:39]([O-:40])([O-:41])([O-:42])=[O:43]>>[c:2]1(-[c:28]2[cH:27][n:26][n:25]([CH2:23][CH3:24])[cH:29]2)[cH:3][c:4]2[c:12]([c:13]([C:15](=[O:16])[OH:17])[cH:14]1)-[c:11]1[c:6]([cH:7][cH:8][cH:9][cH:10]1)[C:5]2([C:18]([F:19])([F:20])[F:21])[OH:22]