HRID136064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID268471

未命名化合物

HCID437645

Benzyl alaninate

C10H13NO2

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)OCc1ccccc1

HCID334524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-217843a5a4ea44b4b638c39102a9541e
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:12])[OH:13].[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][C:33]([CH:34]([NH2:35])[CH3:36])=[O:37].[CH2:60]([Cl:61])[Cl:62].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH:45]1([N:46]=[C:47]=[N:48][CH:49]2[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]2)[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]1.[c:14]1([CH3:15])[cH:16][cH:17][c:18]([S:19]([OH:20])(=[O:21])=[O:22])[cH:23][cH:24]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH3:10])[C:11](=[O:13])[NH:35][CH:34]([C:33]([O:32][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:37])[CH3:36]