HRID202705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID7969

Benzenethiol

C6H6S

HCID8058

n-Hexane

C6H14

结构：CCSC1=CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(OC(C)=O)CC12C

HCID178477265

未命名化合物

PRODUCTS

生成物

结构：CCSC1(Sc2ccccc2)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(OC(C)=O)CC21C

HCID178477405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b967662f72f140edbb8d658ad470d245
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

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