查数据/反应详情

HRID2142030

反应详情

EQUATION

反应方程式

HRID 2142030 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)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

未命名化合物

PRODUCTS

生成物

1

结构：O=C(CNC(=O)c1cc(C(F)(F)F)cc(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-5c03d65e38434b9f85cf507ee2377f8d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)=[O:38])=[O:39])[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:34]([F:35])([F:36])[F:37])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)=[O:38])=[O:39])[CH2:18]1

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