HRID2124852

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

HCID81531

Diisopropylethylamine

C8H19N

HCID96472

Glycine, N-carboxy-, N-ethyl ester (8CI)

C5H9NO4

HCID181649

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

C5H4N4O

结构：CCOC(=O)CC(N)Cc1ccc(-c2cccc(Cl)c2)cc1

HCID68424117

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CNC(=O)OCC

HCID72337064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bb244d247cf4d78b696a4f44f0f2644
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:24]([CH3:25])[O:26][C:27](=[O:28])[NH:29][CH2:30][C:31](=[O:32])[OH:33].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:1].[NH2:2][CH:3]([CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58].[OH:43][n:44]1[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[NH:2]([CH:3]([CH2:4][C:5](=[O:6])[O:7][CH2:8][CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([Cl:23])[cH:20][cH:21][cH:22]2)[cH:15][cH:16]1)[C:31]([CH2:30][NH:29][C:27]([O:26][CH2:24][CH3:25])=[O:28])=[O:32]