HRID1113100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID73026

3-Hydroxy-1,2,3-benzotriazin-4(3H)-one

C7H5N3O2

HCID351663

O-Methyl-DL-methionine

C6H13NO2S

HCID23436420

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(CO)cc1-c1ccccc1

HCID23436003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c25e0ef90e946be8b0296ff6f3089f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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