HRID282093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

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

C5H4N4O

结构：CN(C(=O)OC(C)(C)C)C(Cc1csc2ccccc12)C(=O)O

HCID20827267

未命名化合物

HCID22326993

N-Methyl-2-methylamino-3-phenylpropionamide

C11H16N2O

PRODUCTS

生成物

结构：CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1csc2ccccc12)N(C)C(=O)OC(C)(C)C

HCID178485648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b264acc2ea5b4e65a01204ac0ef7f574
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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