HRID201203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81430

N-(3-Methoxyphenyl)piperazine

C11H16N2O

结构：COC(=O)C=Cc1ccncc1N=C=Nc1cccc(C(F)(F)F)c1

HCID90761513

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1c2ccncc2N=C(N2CCN(c3cccc(OC)c3)CC2)N1c1cccc(C(F)(F)F)c1

HCID59168068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01339b77ccc847dbb40c39f972df93c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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