HRID186220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID136227

N-(Trifluoroacetyl)aminoacetic acid

C4H4F3NO3

结构：Cc1cn(C2CC(O)C(CN)(CO)O2)c(=O)[nH]c1=O

HCID178429983

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(C2CC(O)C(CO)(CNC(=O)CNC(=O)C(F)(F)F)O2)c(=O)[nH]c1=O

HCID178429988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c8d06cad43e4d488b5eab2066f23d27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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