HRID192200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID12344

5-Methylhexanoic acid

C7H14O2

HCID4641409

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

C10H15N6O+

结构：Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCNCC1

HCID67202021

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(C(=O)CCCC(C)C)CC1

HCID59856695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e89cc95aca247d1a4d4858aae1950b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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