HRID2135260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID314992

5-(methoxycarbonyl)pyridine-2-carboxylic acid

C8H7NO4

HCID4641409

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

C10H15N6O+

HCID11063797

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

HCID67050039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecf39773373748e298a56d7108b0a895
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

[CH3:39][O:40][C:41](=[O:42])[c:43]1[cH:44][cH:45][c:46]([C:49](=[O:50])[OH:51])[n:47][cH:48]1.[CH3:52][N:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[NH2:25][c:26]1[cH:27][s:28][cH:29][c:30]1[NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:70].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[NH:25]([c:26]1[cH:27][s:28][cH:29][c:30]1[NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[C:49]([c:46]1[cH:45][cH:44][c:43]([C:41]([O:40][CH3:39])=[O:42])[cH:48][n:47]1)=[O:50]