HRID2331638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID4286583

未命名化合物

PRODUCTS

产物

HCID178441449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-78cbb9c1507b4d95ac8d4e1e87affe9a
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18](-[c:23]4[n:24][n:25][n:26]([C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[n:27]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[cH:47][cH:48][cH:49][cH:50]2.[ClH:51].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:58]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]3[c:18](-[c:23]4[n:24][n:25][n:26][nH:27]4)[cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]1)[cH:47][cH:48][cH:49][cH:50]2