HRID674725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID77666

4-Methoxypiperidine

C6H13NO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1cc(F)cc(Cc2n[nH]c(=O)c3cccc(Cl)c23)c1

HCID57791775

未命名化合物

PRODUCTS

生成物

结构：COC1CCN(C(=O)c2cc(F)cc(Cc3n[nH]c(=O)c4cccc(Cl)c34)c2)CC1

HCID57791811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97f561e0230e4944b94fcbefb4f5c7dd
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

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