HRID1569700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31374

Dimethylacetamide

C4H9NO

HCID10442525

1-Benzyl-2-methylpiperazine

C12H18N2

结构：Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID14052575

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2CCN(Cc3ccccc3)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID15622497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-676a0b9f45c94a518fdd5f68cadd16c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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