HRID319834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID181649

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

C5H4N4O

结构：CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)C(=O)O

HCID58641179

未命名化合物

结构：CC(C)(C)OC(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1

HCID59001784

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1)C(C)(C)C(=O)O

HCID178453781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09d914c1595143448b02dd6a279b497c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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