HRID953340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID572875

(3,5-Dimethyl-pyrazol-1-yl)-acetic acid

C7H10N2O2

HCID4641409

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

C10H15N6O+

HCID66823616

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1

HCID53469061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d8ac8c8181b4f88b941b14f091d49f3
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

[CH3:57][c:58]1[n:59][n:60]([CH2:64][C:65](=[O:66])[OH:67])[c:61]([CH3:63])[cH:62]1.[CH3:73][OH:74].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:75][CH2:76][Cl:77].[ClH:1].[ClH:2].[F:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[cH:14][n:15]([CH3:23])[c:16]3[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]13)[NH:8][CH2:7][CH2:6]2.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:78].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[F:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][c:12]1-[c:13]1[cH:14][n:15]([CH3:23])[c:16]3[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]13)[N:8]([C:65]([CH2:64][n:60]1[n:59][c:58]([CH3:57])[cH:62][c:61]1[CH3:63])=[O:66])[CH2:7][CH2:6]2