HRID137733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8657

o-Diethylbenzene

C10H14

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

HCID178477409

未命名化合物

PRODUCTS

生成物

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

HCID178477265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c161f8da10540e1a40160a65d4a55df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[C:6]2([F:31])[C:7]3([CH3:30])[CH:8]=[CH:9][C:10](=[O:29])[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:26][CH2:27][CH3:28])[C:20]2([CH3:21])[CH2:22]1.[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1[CH2:39][CH3:40])[CH3:41]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[C:6]2([F:31])[C:7]3([CH3:30])[CH:8]=[CH:9][C:10](=[O:29])[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