HRID1122954

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(CN4CCC(Cc5ccccc5)CC4)cc2)CC3)cc1

HCID18472459

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+]4(C)CCC(Cc5ccccc5)CC4)cc2)CC3)cc1

HCID18472583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-719d5eb3169c4804a990132edc7afdd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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