HRID828165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

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

结构：Cc1ccc(C)n1-c1cc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)O

HCID58442365

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C)n1-c1cc(C(F)(F)F)c(C(F)(F)F)nc1C(=O)NCC(C)(O)C(F)(F)F

HCID86657666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81ce8d7c746f4001aa0b95618a1ae514
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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