HRID103847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID260

Hydrogen Bromide

BrH

HCID312

Chloride

Cl-

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8821

Ethyl acrylate

C5H8O2

HCID105144

Palladium(2+)

Pd+2

反应SMILES：Cc1ccccc1C(=O)P(C(=O)c1ccccc1C)C(=O)c1ccccc1C

HCID19696886

未命名化合物

反应SMILES：CN1CCC(=C2c3ccccc3CCc3cc(Br)sc32)CC1

HCID68488491

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C=Cc1cc2c(s1)C(=C1CCN(C)CC1)c1ccccc1CC2

HCID68489717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a07256a4f10646758519e8af09f16e3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:44][c:45]1[cH:46][c:47]2[c:53]([s:54]1)[C:52](=[C:55]1[CH2:56][CH2:57][N:58]([CH3:61])[CH2:59][CH2:60]1)[c:51]1[c:50]([cH:65][cH:64][cH:63][cH:62]1)[CH2:49][CH2:48]2.[BrH:43].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[C:8]([CH:9]=[CH2:10])(=[O:11])[O:12][CH2:13][CH3:14].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl-:66].[NH4+:67].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[Pd+2:72].[c:15]1([CH3:16])[c:17]([C:18]([P:19]([C:20]([c:21]2[c:22]([CH3:23])[cH:24][cH:25][cH:26][cH:27]2)=[O:28])[C:29]([c:30]2[c:31]([CH3:32])[cH:33][cH:34][cH:35][cH:36]2)=[O:37])=[O:38])[cH:39][cH:40][cH:41][cH:42]1>>[C:8]([CH:9]=[CH:10][c:45]1[cH:46][c:47]2[c:53]([s:54]1)[C:52](=[C:55]1[CH2:56][CH2:57][N:58]([CH3:61])[CH2:59][CH2:60]1)[c:51]1[c:50]([cH:65][cH:64][cH:63][cH:62]1)[CH2:49][CH2:48]2)(=[O:11])[O:12][CH2:13][CH3:14]