查数据/反应详情

HRID98272

反应详情

EQUATION

反应方程式

HRID 98272 的结构方程式

REACTANTS

反应物

2

结构：ClCCl

Dichloromethane

CH2Cl2

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1CO

未命名化合物

PRODUCTS

生成物

1

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1C=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7194a8164cd14eec9c56a50b551b7459
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

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

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