HRID1118073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66978

N,N'-Dimethylpropane-1,3-diamine

C5H14N2

结构：Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

HCID22238142

未命名化合物

PRODUCTS

生成物

结构：CNCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)Nc2cc(NC(=O)c3ccnc(N4CCOCC4)c3)ccc2C)c1

HCID22238184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dff63d6505340ae81bc1e0d8913fe18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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