HRID107596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID312630

methyl 6-amino-2,5-dichloropyrimidine-4-carboxylate

C6H5Cl2N3O2

HCID4193595

4-Chloro-2-fluorophenylboronic acid

C6H5BClFO2

PRODUCTS

生成物

HCID67047977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f947534896846de81fdeb1ff0f5eed9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:13])[n:8][c:9]([NH2:12])[c:10]1[Cl:11].[CH3:27][O:28][CH2:29][CH2:30][O:31][CH3:32].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cl:14][c:15]1[cH:16][c:17]([F:24])[c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1.[Cs+:26].[F-:25].[OH2:33].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7](-[c:18]2[c:17]([F:24])[cH:16][c:15]([Cl:14])[cH:20][cH:19]2)[n:8][c:9]([NH2:12])[c:10]1[Cl:11]