HRID121014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID79019

(+/-)-Valinol

C5H13NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(S(C)(=O)=O)ncc3C#N)c3cc(C)cnc32)cc1

HCID59414377

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC(CO)C(C)C)ncc3C#N)c3cc(C)cnc32)cc1

HCID68667635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9df98d2bae74b1fb90707461bfd3682
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

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