HRID179804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID83117

2-Chloro-2-phenethylamine

C8H10ClN

HCID21093906

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1ccccc1Cl)c1cc(-n2cn[nH]c2=O)ccc1Cl

HCID21093908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-941ba15775f34b41aa4cbebe6dcd873a
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

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