HRID88723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6924

o-Toluenesulfonamide

C7H9NO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：CNC(=O)CCc1cn(Cc2ccc(C(=O)O)cc2OC)c2cc(C(=O)NCC3CCCC3)ccc12

HCID15013780

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)CCc1cn(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3C)cc2OC)c2cc(C(=O)NCC3CCCC3)ccc12

HCID15013783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-413d5684bc2e4e1596ba0323fe652f1b
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

[CH2:69]([Cl:70])[Cl:71].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:60][N:61]([CH3:62])[c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1.[CH:1]1([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[c:14]([CH2:31][CH2:32][C:33]([NH:34][CH3:35])=[O:36])[cH:15][n:16]([CH2:19][c:20]4[c:21]([O:29][CH3:30])[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]4)[c:17]3[cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:37].[c:49]1([CH3:59])[c:50]([S:55](=[O:56])(=[O:57])[NH2:58])[cH:51][cH:52][cH:53][cH:54]1>>[CH:1]1([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[c:14]([CH2:31][CH2:32][C:33]([NH:34][CH3:35])=[O:36])[cH:15][n:16]([CH2:19][c:20]4[c:21]([O:29][CH3:30])[cH:22][c:23]([C:24](=[O:25])[NH:58][S:55]([c:50]5[c:49]([CH3:59])[cH:54][cH:53][cH:52][cH:51]5)(=[O:56])=[O:57])[cH:27][cH:28]4)[c:17]3[cH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5]1