HRID116807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID268918

3-thien-3-ylpropanoic acid

C7H8O2S

HCID22141143

未命名化合物

PRODUCTS

生成物

结构：CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(=O)CCc3ccsc3)CC21

HCID22141237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f56f14512ce42f2aecc651ffbdc7018
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:53](=[O:54])([O-:55])[OH:56].[CH3:23][N:24]([CH3:25])[CH2:26][CH2:27][CH2:28][N:29]=[C:30]=[N:31][CH2:32][CH3:33].[CH3:35][C:36]1([c:42]2[cH:43][c:44]([NH:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:45][cH:46][cH:47]2)[CH:37]2[CH2:38][NH:39][CH2:40][CH:41]12.[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH3:63][OH:64].[ClH:22].[ClH:34].[Na+:57].[OH2:11].[OH:12][n:13]1[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[n:20][n:21]1.[s:1]1[cH:2][c:3]([CH2:6][CH2:7][C:8](=[O:9])[OH:10])[cH:4][cH:5]1>>[s:1]1[cH:2][c:3]([CH2:6][CH2:7][C:8](=[O:10])[N:39]2[CH2:38][CH:37]3[C:36]([CH3:35])([c:42]4[cH:43][c:44]([NH:48][S:49](=[O:50])(=[O:51])[CH3:52])[cH:45][cH:46][cH:47]4)[CH:41]3[CH2:40]2)[cH:4][cH:5]1