查数据/反应详情

HRID195314

反应详情

EQUATION

反应方程式

HRID 195314 的结构方程式

REACTANTS

反应物

2

结构：O=C(O)C(F)(F)F

未命名化合物

结构：CC(C)(C)OC(=O)N1CC(NC(=O)CNC(=O)c2ccc(F)c(C(F)(F)F)c2)C1

未命名化合物

PRODUCTS

生成物

1

结构：O=C(CNC(=O)c1ccc(F)c(C(F)(F)F)c1)NC1CNC1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68a191b6158341418278cb17f02825b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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

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