HRID691955

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

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

结构：COc1ccc(CN(CC(=O)O)C(=O)C(Cc2c[nH]cn2)NC(=O)OCc2ccccc2)cc1

HCID178491119

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(CC(=O)OCc2ccccc2)C(=O)C(Cc2c[nH]cn2)NC(=O)OCc2ccccc2)cc1

HCID178491115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3fe7d4dec08e4e77aaef35a36224b355
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[O:69][C:70](=[O:71])[CH2:72][NH2:73].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][N:10]([CH2:11][C:12](=[O:13])[OH:14])[C:15]([CH:16]([NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][c:29]2[cH:30][nH:31][cH:32][n:33]2)=[O:34])[cH:7][cH:8]1.[CH3:74][CH2:75][N:76]([CH2:77][CH3:78])[CH2:79][CH3:80].[CH:46]1([N:47]=[C:48]=[N:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[ClH:61].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH2:45].[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][N:10]([CH2:11][C:12]([O:13][CH2:62][c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)=[O:14])[C:15]([CH:16]([NH:17][C:18](=[O:19])[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][c:29]2[cH:30][nH:31][cH:32][n:33]2)=[O:34])[cH:7][cH:8]1