HRID291198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8021

Diethylamine

C4H11N

HCID8058

n-Hexane

C6H14

结构：CS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C2CCCN2)cc1

HCID23145175

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCCC1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(S(C)(=O)=O)cc1

HCID11179025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dccd428e55b1424a8c31b3a179ff6ca5
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

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