HRID303487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID546059

5-Bromothiazole

C3H2BrNS

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

结构：COC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)cc(B2OC(C)(C)C(C)(C)O2)c1

HCID67433486

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cncs2)c1

HCID67262142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a00030f2dd6435a980e884a7c49d1f4
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:71][c:72]1[cH:73][n:74][cH:75][s:76]1.[C:65](=[O:66])([O-:67])[O-:68].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][c:17]([NH:19][c:20]3[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]3)[cH:18]2)[O:30]1.[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2-[c:45]2[c:46]([CH:47]([CH3:48])[CH3:49])[cH:50][c:51]([CH:52]([CH3:53])[CH3:54])[cH:55][c:56]2[CH:57]([CH3:58])[CH3:59])[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[Cs+:69].[Cs+:70].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:134]1[CH2:135][CH2:136][O:137][CH2:138][CH2:139]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[OH2:133].[Pd:77].[Pd:78]>>[c:9]1(-[c:72]2[cH:73][n:74][cH:75][s:76]2)[cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][c:17]([NH:19][c:20]2[n:21][cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[n:25]2)[cH:18]1