HRID2328784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID3519882

4-Chloro-3-(trifluoromethyl)phenylacetic acid

C9H6ClF3O2

HCID4641409

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

C10H15N6O+

HCID59515794

未命名化合物

PRODUCTS

产物

HCID24760810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9aa9fed73c2b404c9b6bfd2f32cc537a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:40][N+:41]([CH3:42])=[C:43]([N:44]([CH3:45])[CH3:46])[O:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[CH3:74][OH:75].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:18][c:19]1[c:20]([C:29]([F:30])([F:31])[F:32])[cH:21][c:22]([CH2:25][C:26](=[O:27])[OH:28])[cH:23][cH:24]1.[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([CH2:14][OH:15])[CH2:16][OH:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1.[Na+:67].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH-:66].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([CH2:14][OH:15])[CH2:16][OH:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:26]([CH2:25][c:22]1[cH:21][c:20]([C:29]([F:30])([F:31])[F:32])[c:19]([Cl:18])[cH:24][cH:23]1)=[O:27]