HRID2140916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8003

Pentane

C5H12

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID476218

3-iodopyridine-2,6-diamine

C5H6IN3

HCID17750233

(2-Chloro-5-methoxyphenyl)boronic acid

C7H8BClO3

PRODUCTS

生成物

HCID57582341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49879ad060a24a75aeaa50eb0e34aae1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:22](=[O:23])([O-:24])[O-:25].[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH3:28][CH2:29][CH2:30][CH2:31][CH3:32].[Cl:10][c:11]1[c:12]([B:19]([OH:20])[OH:21])[cH:13][c:14]([O:17][CH3:18])[cH:15][cH:16]1.[Cs+:26].[Cs+:27].[I:1][c:2]1[c:3]([NH2:9])[n:4][c:5]([NH2:8])[cH:6][cH:7]1.[OH2:39].[Pd:116].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[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.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:2]1(-[c:12]2[c:11]([Cl:10])[cH:16][cH:15][c:14]([O:17][CH3:18])[cH:13]2)[c:3]([NH2:9])[n:4][c:5]([NH2:8])[cH:6][cH:7]1