HRID1210159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

结构：Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1

HCID3013430

未命名化合物

PRODUCTS

生成物

HCID30165

Iodide ion

I-

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-50533bc84bbc4023807c4b1828a148e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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