HRID168706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8127

Heptylamine

C7H17N

HCID8857

Ethyl acetate

C4H8O2

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

HCID91422667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7e4a63d92964448b1dc2bc072c92006
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH2:8].[CH2:9]([CH3:10])[O:11][C:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])=[CH:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[cH:26][c:27]([N:31]([C:32]([O:34][c:33]3[cH:35][cH:36][c:37]([N+:38]([O-:39])=[O:40])[cH:41][cH:42]3)=[O:43])[CH3:44])[cH:28][cH:29][cH:30]2)[cH:23][cH:24]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[OH2:45]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][C:32]([N:31]([c:27]1[cH:26][c:25](-[c:22]2[cH:21][cH:20][c:19]([CH:18]=[C:12]([O:11][CH2:9][CH3:10])[C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:24][cH:23]2)[cH:30][cH:29][cH:28]1)[CH3:44])=[O:34]