HRID97169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID124913

未命名化合物

HCID4641409

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

C10H15N6O+

结构：CCCc1cc(C(=O)O)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)nc1

HCID66757910

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C(=O)NC(Cc2ccccc2)C(O)C(=O)O)nn1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)nc1

HCID77227406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fc3cc8372684a6e988a2d603a4df7c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][S:5](=[O:6])(=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[n:22][c:23]([C:29]([OH:30])=[O:31])[cH:24][c:25]3[CH2:26][CH2:27][CH3:28])[cH:18][n:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[ClH:75].[NH2:61][CH:62]([CH:63]([C:64](=[O:65])[OH:66])[OH:67])[CH2:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1]([CH3:2])(=[O:3])[NH:4][S:5](=[O:6])(=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[n:22][c:23]([C:33](=[O:32])[NH:61][CH:62]([CH:63]([C:64](=[O:65])[OH:66])[OH:67])[CH2:68][c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:24][c:25]3[CH2:26][CH2:27][CH3:28])[cH:18][n:19]2)[cH:10][cH:11][cH:12][cH:13]1