HRID301156

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

HCID181649

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

C5H4N4O

HCID68848123

未命名化合物

HCID178443662

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCC(CN(C=O)OCc1ccccc1)C(=O)NNc1nc(CCC=C)nc(N(C)C)n1

HCID178443661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a646e64b6b34d1f8f060a2c46f613e6
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

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