HRID1568427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID136360

1,3-Cyclohexanedione, 4,4-dimethyl-

C8H12O2

结构：CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCNCC1c1ccc(Cl)c(Cl)c1

HCID87626346

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCN(C2=CC(=O)C(C)(C)CC2)CC1c1ccc(Cl)c(Cl)c1

HCID178485444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83aa41c6c8204da595e11ee85684214b
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

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