HRID312941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

反应SMILES：CC(=O)OC(C)CCCCn1c(=O)c2c(nc(CNOC(=O)C(F)(F)F)n2Cc2ccccc2)n(C)c1=O

HCID23137560

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

产物

反应SMILES：CC(=O)OC(C)CCCCn1c(=O)c2[nH]c(CNOC(=O)C(F)(F)F)nc2n(C)c1=O

HCID18506962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f2a7792c859a4f559d12f8d08904b3a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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