HRID1235564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID22170148

未命名化合物

HCID22714145

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2cccnc2Cl)c1C(=O)NC1CCCC(CNC(=O)OCc2ccccc2)C1

HCID86592321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98b012279f4f41eb9cb80144c697ab0d
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

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