HRID1205046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID68417746

未命名化合物

结构：CN(c1ccc(F)c(N)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1

HCID86646059

未命名化合物

PRODUCTS

生成物

结构：CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1

HCID25206346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-221d6805e02345d4b30f1249ef938b3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16].[NH2:41][c:42]1[cH:43][c:44]([N:49]([c:50]2[cH:51][cH:52][c:53]3[c:54]([n:55]2)[s:56][c:57]([NH:59][C:60](=[O:61])[CH:62]2[CH2:63][CH2:64]2)[n:58]3)[CH3:65])[cH:45][cH:46][c:47]1[F:48].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1.[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>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:41][c:42]2[cH:43][c:44]([N:49]([c:50]3[cH:51][cH:52][c:53]4[c:54]([n:55]3)[s:56][c:57]([NH:59][C:60](=[O:61])[CH:62]3[CH2:63][CH2:64]3)[n:58]4)[CH3:65])[cH:45][cH:46][c:47]2[F:48])[cH:7][cH:8][cH:9][c:10]1[O:11][C:12]([CH3:13])([CH3:14])[C:15]#[N:16]