HRID1115046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID22667934

tert-Butyl (2-aminocyclopentyl)carbamate

C10H20N2O2

HCID59197921

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(F)(F)F)cc(SC)c1C(=O)NC1CCCC1NC(=O)OC(C)(C)C

HCID66682567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99d7dcf9bea94578beee5dc610e6a531
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

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