HRID111931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8868

Ethyl acetoacetate

C6H10O3

HCID24386

Thionyl chloride

Cl2OS

结构：CC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O

HCID91701

Fluazifop

C15H12F3NO4

2 次

HCID5360545

Sodium

PRODUCTS

生成物

结构：CCOC(=O)C(C(C)=O)C(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

HCID178471730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-460a51029fe34ac0a068dcf1e782bb98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:53]([CH2:54][C:55](=[O:56])[CH3:57])(=[O:58])[O:59][CH2:60][CH3:61].[Cl-:1].[F:25][C:26]([F:27])([F:28])[c:29]1[cH:30][cH:31][c:32]([O:33][c:34]2[cH:35][cH:36][c:37]([O:38][CH:39]([CH3:40])[C:41]([OH:42])=[O:43])[cH:44][cH:45]2)[n:46][cH:47]1.[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:10][c:11]2[cH:12][cH:13][c:14]([O:15][CH:16]([C:17](=[O:18])[OH:19])[CH3:20])[cH:21][cH:22]2)[n:8][cH:9]1)([F:23])[F:24].[Na:52].[S:48]([Cl:49])([Cl:50])=[O:51]>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:10][c:11]2[cH:12][cH:13][c:14]([O:15][CH:16]([C:17](=[O:18])[CH:54]([C:53](=[O:58])[O:59][CH2:60][CH3:61])[C:55](=[O:56])[CH3:57])[CH3:20])[cH:21][cH:22]2)[n:8][cH:9]1)([F:23])[F:24]