HRID1210061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID5003684

1-Phenylvinylboronic acid

C8H9BO2

HCID11714598

(4-(N,N-Dimethylamino)phenyl)di-tert-butyl phosphine

C16H28NP

2 次

结构：Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(Cl)nc2s1

HCID59174862

未命名化合物

PRODUCTS

生成物

结构：C=C(c1ccccc1)c1ccc2nc(-c3ccc(C4OCCCO4)cc3F)sc2n1

HCID67111819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a72622d2edd4e5c942df5f82c71bcf2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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