HRID1575314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)CN(CC(C)C)C(=O)c1ccc(NCCCN(C)CCc2ccccn2)c([N+](=O)[O-])c1

HCID69029055

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(CC(C)C)C(=O)c1ccc(NCCCN(C)CCc2ccccn2)c(N)c1

HCID69026788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a95fc5a169204b5199ec3e15eec455e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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