HRID1138909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID18176663

5-Bromo-3-methylthiophene-2-carboxylic acid

C6H5BrO2S

PRODUCTS

生成物

HCID68494036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7399664f0fe9466fa4b41679296d7d28
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

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