HRID2128757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID9886

Hexafluorophosphate ion

F6P-

HCID66096

3-(Trifluoromethoxy)benzoic acid

C8H5F3O3

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

HCID58451281

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

HCID59506998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac1dfe3f64bf4b8395ad5e4167cb61d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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