HRID97969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID83795

1-Acetylpiperazine

C6H12N2O

结构：O=C1c2c(-c3ccc(F)cc3)cc(Cl)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID22179324

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)OCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)CC1

HCID22184427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-526002ba8c7843c5b40f3e117a632369
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

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