查数据/反应详情

HRID98405

反应详情

EQUATION

反应方程式

HRID 98405 的结构方程式

REACTANTS

反应物

3

结构：ClCCl

Dichloromethane

CH2Cl2

结构：O=C(O)C(F)(F)F

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C(=O)C1

未命名化合物

PRODUCTS

生成物

1

结构：O=C1CNCCN1Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9c8f2a09baf41a18f69bf8fda802cd5
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:39][CH2:40][Cl:41].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]2[C:15](=[O:27])[CH2:16][N:17]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:18][CH2:19]2)[cH:28][cH:29]1)([F:30])[F:31].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]2[C:15](=[O:27])[CH2:16][NH:17][CH2:18][CH2:19]2)[cH:28][cH:29]1)([F:30])[F:31]

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