HRID139380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID2762821

2-methylpyridine-4-carboxylic acid

C7H7NO2

HCID4641409

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

C10H15N6O+

HCID22015744

未命名化合物

PRODUCTS

生成物

结构：COCCN(C)c1ccc(OC)c2nc(NC(=O)c3ccnc(C)c3)sc12

HCID22737004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c784d68d6ef34100b0e547f25b639b2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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