HRID1236214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16768076

N,N-Dimethyl-1-(piperidin-3-yl)methanamine

C8H18N2

结构：Cc1c(-c2ccc(C(=O)N3CCCC(N(C)C)C3)s2)noc1C(F)(F)F

HCID68905537

未命名化合物

HCID86628351

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(C(=O)N3CCCC(CN(C)C)C3)s2)noc1C(F)(F)F

HCID25211711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6a2852ed5274acb9fca2dbd26ad25a0
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

[CH3:11][N:12]([CH3:13])[CH:14]1[CH2:15][CH2:16][CH2:17][N:18]([C:19](=[O:20])[c:21]2[s:22][c:23](-[c:26]3[n:27][o:28][c:29]([C:32]([F:33])([F:34])[F:35])[c:30]3[CH3:31])[cH:24][cH:25]2)[CH2:36]1.[CH3:1][N:2]([CH2:3][CH:4]1[CH2:5][NH:6][CH2:7][CH2:8][CH2:9]1)[CH3:10].[F:37][C:38]([F:39])([F:40])[c:41]1[o:42][n:43][c:44](-[c:45]2[s:46][c:47]([C:48]([Cl:49])=[O:50])[cH:51][cH:52]2)[c:53]1[CH3:54]>>[CH3:1][N:2]([CH2:3][CH:4]1[CH2:5][N:6]([C:19](=[O:20])[c:21]2[s:22][c:23](-[c:26]3[n:27][o:28][c:29]([C:32]([F:33])([F:34])[F:35])[c:30]3[CH3:31])[cH:24][cH:25]2)[CH2:7][CH2:8][CH2:9]1)[CH3:10]