HRID936902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID13620759

3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol

C4H8F3NO

HCID58442350

未命名化合物

PRODUCTS

生成物

结构：CC(O)(CNC(=O)c1nc(Br)c(C(F)(F)F)cc1N)C(F)(F)F

HCID53472385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d06c6c04db54ffa900c76979ab91223
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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