HRID150359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID14387744

5-Bromo-2-methylpyrimidine

C5H5BrN2

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CCCO)(c2ccc(F)cc2)OC1=O

HCID178435622

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(-c2ccc(C(C)N3CCC(CCCO)(c4ccc(F)cc4)OC3=O)cc2)cn1

HCID178432661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e95b84573c6948f8826e2f767e898853
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:36][c:37]1[cH:38][n:39][c:40]([CH3:43])[n:41][cH:42]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[Cs+:48].[Cs+:49].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:32][CH2:33][CH2:34][OH:35])[CH2:9][CH2:10][N:11]([CH:15]([CH3:16])[c:17]3[cH:18][cH:19][c:20]([B:23]4[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]4)[cH:21][cH:22]3)[C:12](=[O:14])[O:13]2)[cH:6][cH:7]1.[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:32][CH2:33][CH2:34][OH:35])[CH2:9][CH2:10][N:11]([CH:15]([CH3:16])[c:17]3[cH:18][cH:19][c:20](-[c:37]4[cH:38][n:39][c:40]([CH3:43])[n:41][cH:42]4)[cH:21][cH:22]3)[C:12](=[O:14])[O:13]2)[cH:6][cH:7]1