HRID210868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID95303

3-(4-Pyridinyl)-2-propenoic acid

C8H7NO2

结构：CC(=O)NC(CNC(=O)C1CCCNC1)C(=O)OCc1ccccc1

HCID178474875

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(CNC(=O)C1CCCN(C(=O)C=Cc2ccncc2)C1)C(=O)OCc1ccccc1

HCID178474876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bef66e34b7934cb1a3c7a7dc9176a7c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:64]([O:65][CH2:66][CH3:67])(=[O:68])[CH3:69].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10]([CH:11]([CH2:12][NH:13][C:14](=[O:15])[CH:16]1[CH2:17][NH:18][CH2:19][CH2:20][CH2:21]1)[NH:22][C:23]([CH3:24])=[O:25])=[O:26].[CH2:48]([N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57])[CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:1].[OH2:70].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[n:27]1[cH:28][cH:29][c:30]([CH:33]=[CH:34][C:35](=[O:36])[OH:37])[cH:31][cH:32]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10]([CH:11]([CH2:12][NH:13][C:14](=[O:15])[CH:16]1[CH2:17][N:18]([C:35]([CH:34]=[CH:33][c:30]2[cH:29][cH:28][n:27][cH:32][cH:31]2)=[O:36])[CH2:19][CH2:20][CH2:21]1)[NH:22][C:23]([CH3:24])=[O:25])=[O:26]