HRID2156941

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID66560

1-Naphthalenesulfonyl chloride

C10H7ClO2S

结构：COC(=O)CCc1ccc(C(=O)NCC(N)C(=O)OC(C)(C)C)cc1

HCID53749171

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(C(=O)NCC(NS(=O)(=O)c2cccc3ccccc23)C(=O)OC(C)(C)C)cc1

HCID178499889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bc7c70aec5e4c5593594fa98f71e9eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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