HRID1131902

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

HCID2782689

4-(4-Fluorophenyl)benzoic acid

C13H9FO2

HCID4641409

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

C10H15N6O+

HCID57771707

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C)c1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2s1

HCID57771794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1e0832318ac4ca5976e33ccee1ad9de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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