HRID1212278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6590

2-Methylpropanoic acid

C4H8O2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：NC1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21

HCID58230802

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)NC1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21

HCID67088099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87e3900130e34259a591f4d98ac9e04d
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

[CH3:23][CH:24]([CH3:25])[C:26]([OH:27])=[O:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[NH2:1][CH:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([CH2:11][n:12]3[n:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([CH2:17][OH:18])[cH:16]3)[cH:8][cH:9][c:10]21.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([CH2:11][n:12]3[n:13][c:14]([C:19]([F:20])([F:21])[F:22])[c:15]([CH2:17][OH:18])[cH:16]3)[cH:8][cH:9][c:10]21)[C:26]([CH:24]([CH3:23])[CH3:25])=[O:27]