HRID113850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID8083

Morpholine

C4H9NO

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)c1cc(-c2cn3c(n2)SCC3)cc(C(C)(C)C)c1O

HCID13173170

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(-c2nc3n(c2CN2CCOCC2)CCS3)cc(C(C)(C)C)c1O

HCID13173182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40b30cde8b3f4c6c9b26f607b91210d2
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

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