HRID171039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID424086

未命名化合物

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

PRODUCTS

生成物

结构：CCOC(=O)C(CSCc1ccccc1)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

HCID178472298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aef50145ef92407faead792a3f9cedba
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:18](=[O:19])([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[NH:25][C:26]([CH3:27])([C:28](=[O:29])[OH:30])[CH3:31].[CH2:2]([CH3:3])[O:4][C:5]([CH:6]([NH2:7])[CH2:8][S:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17].[CH2:60]([Cl:61])[Cl:62].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[ClH:1].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH2:2]([CH3:3])[O:4][C:5]([CH:6]([NH:7][C:28]([C:26]([NH:25][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:27])[CH3:31])=[O:29])[CH2:8][S:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17]