HRID96263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID642685

2-phenyl-1,3,2-dioxaborinane

C9H11BO2

结构：COc1c(Br)c(I)c(C)c(C#N)c1NC(=O)C(F)(F)F

HCID86630812

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COc1c(Br)c(-c2ccccc2)c(C)c(C#N)c1NC(=O)C(F)(F)F

HCID86630811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5862376c37c4cb5acd54ad08155ab3d
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

[Br:1][c:2]1[c:3]([O:19][CH3:20])[c:4]([NH:12][C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[c:5]([C:10]#[N:11])[c:6]([CH3:9])[c:7]1[I:8].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[K+:38].[K+:39].[K+:40].[P:33]([O-:34])([O-:35])([O-:36])=[O:37].[c:21]1([B:27]2[O:28][CH2:29][CH2:30][CH2:31][O:32]2)[cH:22][cH:23][cH:24][cH:25][cH:26]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[Br:1][c:2]1[c:3]([O:19][CH3:20])[c:4]([NH:12][C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[c:5]([C:10]#[N:11])[c:6]([CH3:9])[c:7]1-[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1