HRID2345590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(=O)OCCC1(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1

HCID86635422

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(=O)OCCC1(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCNCC1

HCID86635424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0d31cf531c64939b81d344a80012da4
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

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