HRID187927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8657

o-Diethylbenzene

C10H14

结构：CC(=O)OC1CC2(C)C(CCC2(Sc2ccccc2)Sc2ccccc2)C2CCC3=CC(=O)C=CC3(C)C12F

HCID178475221

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CC2(C)C(Sc3ccccc3)=CCC2C2CCC3=CC(=O)C=CC3(C)C12F

HCID178475244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47e5b75498864a45bcbb03e02b098e2f
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:39])[C:7]3([CH3:38])[CH:8]=[CH:9][C:10](=[O:37])[CH:11]=[C:12]3[CH2:13][CH2:14][CH:15]2[CH:16]2[CH2:17][CH2:18][C:19]([S:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)([S:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:20]2([CH3:21])[CH2:22]1.[CH2:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH2:47][CH3:48])[CH3:49]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[C:6]2([F:39])[C:7]3([CH3:38])[CH:8]=[CH:9][C:10](=[O:37])[CH:11]=[C:12]3[CH2:13][CH2:14][CH:15]2[CH:16]2[CH2:17][CH:18]=[C:19]([S:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[C:20]2([CH3:21])[CH2:22]1