HRID1143547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：CN(C)c1ccc(S(=O)(=O)n2ccc(C=CC(=O)O)c2)cc1

HCID66646381

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ccc(S(=O)(=O)n2ccc(C=CC(=O)NOC3CCCCO3)c2)cc1

HCID90923207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cee2e52d0624e109e945de986d15e86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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