HRID1568267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8007

Butylamine

C4H11N

结构：CCOC(=O)C(=Cc1ccc(-c2cccc(N(C)C(=O)Oc3ccc([N+](=O)[O-])cc3)c2)cc1)OCC

HCID90848897

未命名化合物

PRODUCTS

生成物

结构：CCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(OCC)C(=O)OCC)cc2)c1

HCID90837559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-565144e6257c49cd8b82b22ffae7dc60
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

[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])=[CH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([N:23]([C:24]([O:26][c:25]3[cH:27][cH:28][c:29]([N+:30]([O-:31])=[O:32])[cH:33][cH:34]3)=[O:35])[CH3:36])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[CH2:37]([CH2:38][CH2:39][CH3:40])[NH2:41].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[OH2:42]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])=[CH:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([N:23]([C:24](=[O:26])[NH:41][CH2:37][CH2:38][CH2:39][CH3:40])[CH3:36])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1