HRID126138

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CCC(CC)(c1ccc(CCC(OCOC)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1

HCID57709094

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1

HCID57709086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e75e55acb1f84863b40c35896c7bf46a
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

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