HRID175876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

2 次

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID220380

3-(methylsulfonyl)benzoic acid

C8H8O4S

结构：CC(CC(O)C(N)Cc1ccccc1)C(=O)NCCC(C)(C)C

HCID178450601

未命名化合物

PRODUCTS

生成物

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NCCC(C)(C)C

HCID21074187

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30d5dddf69ac4459bce0049c930143fc
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

[CH3:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31]1.[CH3:32][C:33]([CH2:34][CH2:35][NH:36][C:37]([CH:38]([CH2:39][CH:40]([CH:41]([CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[NH2:49])[OH:50])[CH3:51])=[O:52])([CH3:53])[CH3:54].[Cl:11][CH2:12][Cl:13].[Cl:60][CH2:61][Cl:62].[O:14]=[CH:15][N:16]([CH3:17])[CH3:18].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[CH3:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:28])[NH:49][CH:41]([CH:40]([CH2:39][CH:38]([C:37]([NH:36][CH2:35][CH2:34][C:33]([CH3:32])([CH3:53])[CH3:54])=[O:52])[CH3:51])[OH:50])[CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:29][cH:30][cH:31]1