HRID1208962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID58977991

未命名化合物

结构：CCS(=O)(=O)N(C)c1nc(C(=O)O)c(O)c2ncccc12

HCID59645256

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)N(C)c1nc(C(=O)NCc2ccc(F)cc2C(=O)NC)c(O)c2ncccc12

HCID3013405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9faf4d6c49c54bbeab6062feb322c9cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:23][NH:24][C:25](=[O:26])[c:27]1[c:28]([CH2:34][NH3+:35])[cH:29][cH:30][c:31]([F:33])[cH:32]1.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[Cl-:22].[ClH:36].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH:1][c:2]1[c:3]([C:19](=[O:20])[OH:21])[n:4][c:5]([N:12]([S:13](=[O:14])(=[O:15])[CH2:16][CH3:17])[CH3:18])[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12.[OH:48][n:49]1[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[OH:1][c:2]1[c:3]([C:19](=[O:21])[NH:35][CH2:34][c:28]2[c:27]([C:25]([NH:24][CH3:23])=[O:26])[cH:32][c:31]([F:33])[cH:30][cH:29]2)[n:4][c:5]([N:12]([S:13](=[O:14])(=[O:15])[CH2:16][CH3:17])[CH3:18])[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12