HRID121552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10176150

N,N-Dimethyloxan-4-amine

C7H15NO

结构：CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CCl)cc2)CCO3)cc1

HCID18472558

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1

HCID474167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-409737cc3a594f23b1128056b71aaa78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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