HRID700267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9483

3-(Trifluoromethyl)phenyl isocyanate

C8H4F3NO

结构：CC1NCCN(CCCC(=O)N2CCC3(CC3)C(O)C2)C1=O

HCID67087045

未命名化合物

PRODUCTS

生成物

结构：CC1C(=O)N(CCCC(=O)N2CCC3(CC3)C(O)C2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1

HCID77223875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c614aad6ed144b69d8973be81337ace
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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