HRID2325753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

HCID12919159

5-Chloro-3-methyl-1,2,4-thiadiazole

C3H3ClN2S

结构：FC1CNCCC1Nc1nc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccn2n1

HCID86656725

未命名化合物

PRODUCTS

生成物

结构：Cc1nsc(N2CCC(Nc3nc4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cccn4n3)C(F)C2)n1

HCID76775942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff1dc131a86244dea331af9b3838d479
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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