HRID1206304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：CC1([N+](=O)[O-])C(Br)=C(Br)C(=O)C(Br)=C1Br

HCID2724547

2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one

C7H3Br4NO3

反应SMILES：CCCCC12CCC(=O)C=C1c1cc(F)c(N)cc1C2

HCID17972681

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCC12CCC(=O)C([N+](=O)[O-])=C1c1cc(F)c(N)cc1C2

HCID9901545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee8baa6e23c245f7bfcb99cff4cec857
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

[Br:21][C:22]1=[C:34]([Br:35])[C:32]([N+:29](=[O:30])[O-:31])([CH3:33])[C:27]([Br:28])=[C:25]([Br:26])[C:23]1=[O:24].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[NH2:1][c:2]1[c:3]([F:20])[cH:4][c:5]2[c:13]([cH:14]1)[CH2:12][C:11]1([CH2:15][CH2:16][CH2:17][CH3:18])[C:6]2=[CH:7][C:8](=[O:19])[CH2:9][CH2:10]1.[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[NH2:1][c:2]1[c:3]([F:20])[cH:4][c:5]2[c:13]([cH:14]1)[CH2:12][C:11]1([CH2:15][CH2:16][CH2:17][CH3:18])[C:6]2=[C:7]([N+:29](=[O:30])[O-:31])[C:8](=[O:19])[CH2:9][CH2:10]1