HRID2349671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：O=C(O)C(CS(=O)(=O)CC1CC1)NC(=O)N1CCOCC1

HCID21988757

未命名化合物

HCID22179870

未命名化合物

PRODUCTS

生成物

结构：CCC(NC(=O)C(CS(=O)(=O)CC1CC1)NC(=O)N1CCOCC1)C(O)c1noc(C(F)(F)F)n1

HCID178457781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a230816361f14e49b8c08bb409087e51
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[CH:1]1([CH2:4][S:5](=[O:6])(=[O:7])[CH2:8][CH:9]([C:10](=[O:11])[OH:12])[NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[CH2:2][CH2:3]1.[CH:68]([N:69]([CH:70]([CH3:71])[CH3:72])[CH2:73][CH3:74])([CH3:75])[CH3:76].[F:22][C:23]([F:24])([F:25])[C:26]([OH:27])=[O:28].[NH2:29][CH:30]([CH:31]([OH:32])[c:33]1[n:34][o:35][c:36]([C:38]([F:39])([F:40])[F:41])[n:37]1)[CH2:42][CH3:43].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH:1]1([CH2:4][S:5](=[O:6])(=[O:7])[CH2:8][CH:9]([C:10](=[O:12])[NH:29][CH:30]([CH:31]([OH:32])[c:33]2[n:34][o:35][c:36]([C:38]([F:39])([F:40])[F:41])[n:37]2)[CH2:42][CH3:43])[NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][O:19][CH2:20][CH2:21]2)[CH2:2][CH2:3]1