HRID202626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID27284

Fe +2 ion

Fe+2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)NC1CCN(c2cc(C(N)=O)cc(Cl)n2)CC1

HCID86608240

未命名化合物

HCID178418260

未命名化合物

HCID178420532

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(c2cc(C(N)=O)cc(C#N)n2)CC1

HCID86608243

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42589d9efc594213ba9ebc24916febc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[Cu:25]([C:26]#[N:27])[C:28]#[N:29].[Fe+2:78].[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([N:11]2[CH2:12][CH2:13][CH:14]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:15][CH2:16]2)[n:7][c:8]([Cl:10])[cH:9]1.[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c-:53]2[cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59]1.[cH:60]1[cH:61][cH:62][c:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c-:71]2[cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77]1>>[NH2:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([N:11]2[CH2:12][CH2:13][CH:14]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:15][CH2:16]2)[n:7][c:8]([C:26]#[N:27])[cH:9]1