HRID1201767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID476218

3-iodopyridine-2,6-diamine

C5H6IN3

HCID2777204

2-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

HCID3587356

未命名化合物

PRODUCTS

生成物

HCID57582327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e601f91dad034c6d9d00d192cb859a6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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