HRID108167

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

结构：CCOC(=O)c1cn(C)c2nc3cc(F)c(F)cc3cc2c1=O

HCID9839987

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C)c2nc3cc(N4CCN(c5ccc(F)cc5)CC4)c(F)cc3cc2c1=O

HCID18549165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d4e5597f57f4a769e5fd360046ccb83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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