HRID305212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(B(O)O)cn1

HCID59416189

未命名化合物

HCID68748009

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1cc(-c2nc(C(F)(F)F)cs2)c(-c2cnc3c(c2)c(=O)c(C(=O)OCC)cn3CC)cn1

HCID68747705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cbbbc58fb9d499ab7fd437ca064c50d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5](=[O:19])[c:6]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:7][n:8]([CH2:12][CH3:13])[c:9]2[n:10][cH:11]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:20]([CH3:21])[NH:22][C:23]([NH:24][c:25]1[cH:26][c:27](-[c:34]2[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]2)[c:28]([B:31]([OH:32])[OH:33])[cH:29][n:30]1)=[O:43].[Cs+:48].[Cs+:49].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:50].[Pd:57].[c:115]1([P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130][cH:131][cH:132][cH:133]1.[c:58]1([P:59]([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)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([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)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([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)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[c:2]1(-[c:28]2[c:27](-[c:34]3[s:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[n:38]3)[cH:26][c:25]([NH:24][C:23]([NH:22][CH2:20][CH3:21])=[O:43])[n:30][cH:29]2)[cH:3][c:4]2[c:5](=[O:19])[c:6]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:7][n:8]([CH2:12][CH3:13])[c:9]2[n:10][cH:11]1