HRID933517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10176150

N,N-Dimethyloxan-4-amine

C7H15NO

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CCl)cc2)CCC3)cc1

HCID10525117

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCC3)cc1

HCID183790

N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium

C33H39N2O2+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05f2399a18c04ca298db1356d7ebb922
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:30][N:31]([CH:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1)[CH3:38].[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]([CH3:29])[cH:27][cH:28]4)[cH:19]3)[CH2:15][CH2:14][CH2:13]2)[cH:7][cH:8]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[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]([CH3:29])[cH:27][cH:28]4)[cH:19]3)[CH2:15][CH2:14][CH2:13]2)[cH:7][cH:8]1)[N+:31]([CH3:30])([CH:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1)[CH3:38].[Cl-:1]