HRID114588

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

HCID18869

1-Benzoyl-2-isopropylhydrazine

C10H14N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2345085

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(NC(=O)c1ccccc1)C(=O)CSc1ccccc1Br

HCID58689908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7949bdddaf39430e8503c101abde840a
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

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