HRID96944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777972

3,3,3-Trifluoropropionic acid

C3H3F3O2

结构：CC(C)CN(C(CO)CCCNC(=O)C(N)Cc1cccc2ccccc12)S(=O)(=O)c1ccc(N)cc1

HCID18009027

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(CO)CCCNC(=O)C(Cc1cccc2ccccc12)NC(=O)CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1

HCID18009045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5ee2616f24449d29bdd13f044708dae
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

[F:38][C:39]([CH2:40][C:41](=[O:42])[OH:43])([F:44])[F:45].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][CH:9]([CH2:10][OH:11])[N:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12)[C:41]([CH2:40][C:39]([F:38])([F:44])[F:45])=[O:42]