HRID694686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13007

Piperidine, 1-ethyl-

C7H15N

结构：Cc1ccc(-c2ccc3c(c2)CN(C(=O)Nc2ccc(CCl)cc2)CC3)cc1

HCID22990081

未命名化合物

PRODUCTS

生成物

HCID312

Chloride

Cl-

结构：CC[N+]1(Cc2ccc(NC(=O)N3CCc4ccc(-c5ccc(C)cc5)cc4C3)cc2)CCCCC1

HCID22990086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ceadd4aa3c44df79c4759b3740dca46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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