HRID1218850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID181649

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

C5H4N4O

HCID5360545

Sodium

HCID66661326

未命名化合物

HCID66697576

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cc(-c2ccc(F)cc2)c2ccn(C)c2c1)c1ccc(C(F)(F)F)[n+]([O-])c1

HCID178464704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34649481aeb14879936aa664fda63e9c
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

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