HRID315223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID45083635

3-(1-Methylethyl)-2-pyridinecarboxaldehyde

C9H11NO

结构：Cc1ccc(S(=O)(=O)n2cnc(CCNCc3ncc(C)cc3C)c2)cc1

HCID67273302

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cnc(CCN(Cc3ncc(C)cc3C)Cc3ncccc3C(C)C)c2)cc1

HCID67272747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24a56c7c2b6b4eb4aca1df1619101a92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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