HRID292368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID4594378

bis(cyclohexylmethyl)amine

C14H27N

HCID11194503

6-vinyl-2,3-dihydrobenzo[b][1,4]dioxine

C10H10O2

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-]

HCID26369829

tert-Butyl 4-bromo-2-nitrobenzoate

C11H12BrNO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(C=Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]

HCID68962140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95a02e33384442c7adc91bb4a4b008e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:7][c:8]1[cH:9][c:10]([N+:21](=[O:22])[O-:23])[c:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1.[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[CH3:6].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH:24](=[CH2:25])[c:26]1[cH:27][c:28]2[c:29]([cH:34][cH:35]1)[O:30][CH2:31][CH2:32][O:33]2.[CH:36]1([CH2:37][NH:38][CH2:39][CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:60].[Pd+2:55]>>[c:8]1([CH:25]=[CH:24][c:26]2[cH:27][c:28]3[c:29]([cH:34][cH:35]2)[O:30][CH2:31][CH2:32][O:33]3)[cH:9][c:10]([N+:21](=[O:22])[O-:23])[c:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1