HRID2319145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10296

(+/-)-2-Phenylpropionic acid

C9H10O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22571655

(S)-Methyl 2-amino-3-(2'-methoxy-[1,1'-biphenyl]-4-yl)propanoate

C17H19NO3

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccccc2OC)cc1)NC(=O)C(C)c1ccccc1

HCID178499731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da5a973d575a46999f41c25d23d06335
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

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