HRID2134528

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+

HCID56973256

2-(4-Chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H14BClF2O2

HCID59432072

未命名化合物

PRODUCTS

生成物

结构：C=Cc1c(N)nc(-c2ccc(Cl)c(F)c2F)nc1C(=O)OC

HCID59432124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0724451c67644828af825e79a0165b97
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:14])[n:8][c:9]([NH2:13])[c:10]1[CH:11]=[CH2:12].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:15][c:16]1[c:17]([F:32])[c:18]([F:31])[c:19]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:20][cH:21]1.[Cs+:34].[F-:33].[OH2:41].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7](-[c:19]2[c:18]([F:31])[c:17]([F:32])[c:16]([Cl:15])[cH:21][cH:20]2)[n:8][c:9]([NH2:13])[c:10]1[CH:11]=[CH2:12]