HRID140608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID996

Phenol

C6H6O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

结构：CN(C)c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C

HCID2734936

2'-(Di-tert-butylphosphanyl)-N,N-dimethyl[1,1'-biphenyl]-2-amine

C22H32NP

结构：CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12

HCID57829221

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3ccccc3)nc12

HCID57831049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5d0a6cdce984d78a4a8cf94c7f0aa6c
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:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:9][c:10]2[C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16].[C:40]([P:41]([C:42]([CH3:43])([CH3:44])[CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1-[c:52]1[cH:53][cH:54][cH:55][cH:56][c:57]1[N:58]([CH3:59])[CH3:60])([CH3:61])([CH3:62])[CH3:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[K+:37].[K+:38].[K+:39].[O-:72][C:73]([CH3:74])=[O:75].[O-:76][C:77]([CH3:78])=[O:79].[OH:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[P:32]([O-:33])([O-:34])([O-:35])=[O:36].[Pd+2:71]>>[c:2]1([O:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:9][c:10]2[C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16]