HRID193124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID302873

(2-Bromo-4-fluoro-phenoxy)-acetic acid

C8H6BrFO3

HCID58689896

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(NC(=O)C1CCSCC1)C(=O)COc1ccc(F)cc1Br

HCID58689901

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e83ce55578945618e27c6e1f4c075a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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