HRID2336053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID14487

Diisobutylaluminum hydride

C8H19Al

结构：CCOC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC

HCID10109777

Ethyl 2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinecarboxylate

C16H25N3O5S

PRODUCTS

生成物

结构：CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C=O

HCID22052236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ad8b8b738004fc789aa6efbe2e7684f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:10]([CH3:11])[O:12][c:13]1[c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][c:21]([S:24](=[O:25])(=[O:26])[N:27]2[CH2:28][CH2:29][N:30]([CH2:33][CH3:34])[CH2:31][CH2:32]2)[cH:22][n:23]1.[CH3:1][CH:2]([CH2:3][AlH:4][CH2:5][CH:6]([CH3:7])[CH3:8])[CH3:9].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[OH2:35]>>[CH2:10]([CH3:11])[O:12][c:13]1[c:14]([CH:15]=[O:16])[cH:20][c:21]([S:24](=[O:25])(=[O:26])[N:27]2[CH2:28][CH2:29][N:30]([CH2:33][CH3:34])[CH2:31][CH2:32]2)[cH:22][n:23]1