HRID2345082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID750

Glycine

C2H5NO2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID23322779

未命名化合物

PRODUCTS

生成物

结构：NCC(=O)Nc1ccc(Cl)cc1C(=NCCO)c1ccccc1F

HCID13341589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99a2c5284e9a4813b0ee908f9d942446
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[ClH:16].[NH2:17][CH2:18][C:19](=[O:20])[OH:21].[NH2:22][c:23]1[c:24]([C:25]([c:26]2[c:27]([F:32])[cH:28][cH:29][cH:30][cH:31]2)=[N:33][CH2:34][CH2:35][OH:36])[cH:37][c:38]([Cl:41])[cH:39][cH:40]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:47]>>[NH2:17][CH2:18][C:19](=[O:20])[NH:22][c:23]1[c:24]([C:25]([c:26]2[c:27]([F:32])[cH:28][cH:29][cH:30][cH:31]2)=[N:33][CH2:34][CH2:35][OH:36])[cH:37][c:38]([Cl:41])[cH:39][cH:40]1