HRID684793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID74940

3-[4-(Trifluoromethyl)phenyl]-2-propenoic acid

C10H7F3O2

HCID81531

Diisopropylethylamine

C8H19N

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(C(F)(F)F)cc3)cc2s1

HCID68774412

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3052d62a1b34404b947b531e434ec39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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