HRID2162566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3776

Isopropanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID51358177

(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid

C8H9BClFO3

HCID54312167

未命名化合物

PRODUCTS

生成物

结构：CCCC1CC=C(c2ccc(-c3ccc(OCC)c(Cl)c3F)cc2)CC1

HCID59257225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa60bc8bf438434ea688edf0b040d4d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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