HRID180649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID574072

Trimethylboroxine

C3H9B3O3

HCID57354928

5-Iodo-6-methoxy-3-nitropyridin-2-amine

C6H6IN3O3

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID55252837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c108b6deabba423881ae2430505beada
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:23](=[O:24])([O-:25])[O-:26].[CH3:14][B:15]1[O:16][B:17]([CH3:18])[O:19][B:20]([CH3:21])[O:22]1.[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[Cs+:27].[Cs+:28].[I:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([NH2:10])[n:6][c:7]1[O:8][CH3:9].[OH2:40].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:2]1([CH3:14])[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([NH2:10])[n:6][c:7]1[O:8][CH3:9]