HRID2129443

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID2762479

2-(Morpholin-4-yl)pyridine-4-carboxylic acid

C10H12N2O3

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(N4CCOCC4)c3)nc12

HCID86597280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9fc5acc29d0343dc9bd4ec8903ea09e1
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

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