HRID159908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7196

1,3-Benzodioxole-5-carboxylic acid

C8H6O4

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID86038553

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(N2CCOCC2)c2sc(NC(=O)c3ccc4c(c3)OCO4)nc12

HCID11683074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a61ab7ef00f4c0a849b7d50826e0602
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

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