HRID135603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID10296

(+/-)-2-Phenylpropionic acid

C9H10O2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID18931546

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1(O)CC(CC#N)CC2CN(C(=O)C(C)c3ccccc3)CC21

HCID178489434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bf5ec38accf410c971355e662fb2325
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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