HRID2331791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID351663

O-Methyl-DL-methionine

C6H13NO2S

HCID10633904

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(CO)cc1-c1ccccc1C

HCID23436170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe4c54ffb0824c41b4083c7d51d2dba2
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

[CH2:40]([N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49])[CH3:50].[CH3:19][O:20][C:21]([CH:22]([NH2:23])[CH2:24][CH2:25][S:26][CH3:27])=[O:28].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[ClH:29].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:1][CH2:2][c:3]1[cH:4][c:5](-[c:12]2[c:13]([CH3:18])[cH:14][cH:15][cH:16][cH:17]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[OH:30][n:31]1[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[OH:1][CH2:2][c:3]1[cH:4][c:5](-[c:12]2[c:13]([CH3:18])[cH:14][cH:15][cH:16][cH:17]2)[c:6]([C:7](=[O:9])[NH:23][CH:22]([C:21]([O:20][CH3:19])=[O:28])[CH2:24][CH2:25][S:26][CH3:27])[cH:10][cH:11]1