HRID106563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4574913

未命名化合物

HCID15852209

2,2,2-Trifluoro-N-{[4-(hydroxymethyl)phenyl]methyl}acetamide

C10H10F3NO2

HCID29971937

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)c2nc[nH]c2n1

HCID178508951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9f0afc506484238a9e40b5fbbc370cc
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

[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:40][C:41](=[O:42])[OH:43].[Cl-:17].[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][OH:14])[cH:11][cH:12]1)([F:15])[F:16].[K+:39].[NH2:18][c:19]1[n:20][c:21]([N+:28]2([CH3:29])[CH2:30][CH2:31][CH2:32][CH2:33]2)[c:22]2[nH:23][cH:24][n:25][c:26]2[n:27]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][O:14][c:21]2[n:20][c:19]([NH2:18])[n:27][c:26]3[c:22]2[n:23][cH:24][nH:25]3)[cH:11][cH:12]1)([F:15])[F:16]