HRID1202089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67695

[3-(Trifluoromethyl)phenyl]acetic acid

C9H7F3O2

结构：CCCC(N)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1

HCID67164334

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cn(C(C)(C)CN2CCOCC2)cn1

HCID11519079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6b9885f8570440d82ce8222ec76fa57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][C:2]([CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1)([CH3:10])[n:11]1[cH:12][n:13][c:14]([NH:16][C:17]([CH:18]([CH2:19][CH2:20][CH3:21])[NH2:22])=[O:23])[cH:15]1.[F:24][C:25]([c:26]1[cH:27][c:28]([CH2:32][C:33](=[O:34])[OH:35])[cH:29][cH:30][cH:31]1)([F:36])[F:37]>>[CH3:1][C:2]([CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1)([CH3:10])[n:11]1[cH:12][n:13][c:14]([NH:16][C:17]([CH:18]([CH2:19][CH2:20][CH3:21])[NH:22][C:33]([CH2:32][c:28]2[cH:27][c:26]([C:25]([F:24])([F:36])[F:37])[cH:31][cH:30][cH:29]2)=[O:34])=[O:23])[cH:15]1