HRID2145928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(CCN(C)C(=O)OC(C)(C)C)Cc1cc(OC)ccc1-3

HCID67344298

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CC(CCN(C)C(=O)OC(C)(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

HCID67345021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-490e378839ed4ed08e7d18998d1d5c73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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