HRID686872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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+

HCID86655397

未命名化合物

HCID86655402

未命名化合物

PRODUCTS

生成物

结构：C#CC(C)(C)Oc1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(C)=O)sc4c3)c2)c1

HCID86655403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21e209cd5388403d997b7d9de8d874e3
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

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