HRID1148003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

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+

HCID86038492

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(C2CCOCC2)c2sc(NC(=O)c3ccnc(C)c3)nc12

HCID86597281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fd983e25ec14d22a493d7f55e87ee83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]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][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:43][O:44][c:45]1[c:46]2[c:47]([c:48]([CH:51]3[CH2:52][CH2:53][O:54][CH2:55][CH2:56]3)[n:49][cH:50]1)[s:57][c:58]([NH2:60])[n:59]2.[ClH:1].[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:60][c:58]2[s:57][c:47]3[c:46]([c:45]([O:44][CH3:43])[cH:50][n:49][c:48]3[CH:51]3[CH2:52][CH2:53][O:54][CH2:55][CH2:56]3)[n:59]2)[cH:9][cH:10][n:11]1