HRID192835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID2762872

5-chloropyridine-2-carboxylic Acid

C6H4ClNO2

结构：CC(C)(C)OC(=O)NC1=NC(C)(c2cc(N)ccc2F)C(F)(F)COC1

HCID66666055

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1=NC(C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)COC1

HCID66666053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddbdf22416e943479ff65811746cfb45
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

[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[OH:10])[n:6][cH:7]1.[NH2:28][c:29]1[cH:30][cH:31][c:32]([F:53])[c:33]([C:35]2([CH3:52])[N:36]=[C:37]([NH:44][C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH2:38][O:39][CH2:40][C:41]2([F:42])[F:43])[cH:34]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:71].[OH:18][n:19]1[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:10])[NH:28][c:29]2[cH:30][cH:31][c:32]([F:53])[c:33]([C:35]3([CH3:52])[N:36]=[C:37]([NH:44][C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH2:38][O:39][CH2:40][C:41]3([F:42])[F:43])[cH:34]2)[n:6][cH:7]1