HRID1124624

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

HCID53408009

4-Iodo-1-methylpyridin-2(1H)-one

C6H6INO

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID67019752

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2ccn(C)c(=O)c2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O

HCID75032458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-192a8baad6c047288cbe74d09d985e8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[O-:48].[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[Cs+:49].[Cs+:50].[I:1][c:2]1[cH:3][c:4](=[O:9])[n:5]([CH3:8])[cH:6][cH:7]1.[OH:10][C:11]([CH2:12][C:13]1([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:14][CH2:15][N:16]([CH:20]([CH3:21])[c:22]2[cH:23][cH:24][c:25]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:26][cH:27]2)[C:17](=[O:19])[O:18]1)([CH3:43])[CH3:44].[Pd:57]([Cl:58])[Cl:59].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([CH:20]([N:16]3[CH2:15][CH2:14][C:13]([CH2:12][C:11]([OH:10])([CH3:43])[CH3:44])([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[O:18][C:17]3=[O:19])[CH3:21])[cH:27][cH:26]2)[cH:3][c:4](=[O:9])[n:5]([CH3:8])[cH:6][cH:7]1