HRID150526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID13102463

未命名化合物

HCID53633391

Cyclopropanecarbonyl chloride, 3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethyl-

C9H9Cl2F3O

PRODUCTS

生成物

结构：CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC1Cc2cccc(-c3cccs3)c2C1

HCID57320632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-029704192ef248c08b9ff587f7639221
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

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