HRID2340573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID98070

3-(4-Fluorophenyl)-2-propenoic acid

C9H7FO2

HCID4641409

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

C10H15N6O+

HCID55226563

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCN(C)c1nc2ccc(NC(=O)C=Cc3ccc(F)cc3)cc2s1

HCID68775363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a951d53078843319357ff42a3367daa
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

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