HRID2131918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID222

Ammonia gas

H3N

HCID8058

n-Hexane

C6H14

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14917

Hydrogen fluoride

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：CC12CCC(=O)C=C1CCC1C2=CCC2(C)C(=O)CCC12

HCID625095

未命名化合物

PRODUCTS

生成物

结构：CC12CC(F)C3(Cl)C(CCC4=CC(=O)CCC43C)C1CCC2=O

HCID178421458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c881312a0d96467186e98f9d74f95e94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:2][C:3]12[C:4](=[O:22])[CH2:5][CH2:6][CH:7]1[CH:8]1[CH2:9][CH2:10][C:11]3=[CH:12][C:13](=[O:21])[CH2:14][CH2:15][C:16]3([CH3:17])[C:18]1=[CH:19][CH2:20]2.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:38][C:39]([CH3:40])=[O:41].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:23][N:24]1[C:25](=[O:26])[CH2:27][CH2:28][C:29]1=[O:30].[FH:1].[NH3:31]>>[F:1][CH:19]1[C:18]2([Cl:23])[CH:8]([CH:7]3[C:3]([CH3:2])([C:4](=[O:22])[CH2:5][CH2:6]3)[CH2:20]1)[CH2:9][CH2:10][C:11]1=[CH:12][C:13](=[O:21])[CH2:14][CH2:15][C:16]12[CH3:17]