HRID198926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID21082146

未命名化合物

HCID69217046

未命名化合物

PRODUCTS

生成物

结构：CC(Cc1c[nH]c2ccccc12)NC(=O)NCC1CCC(c2ccccc2)(N(C)C)CC1

HCID11754417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5480259d20d649ee9cd703ba51a43b8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[NH2:1][CH2:2][CH:3]1[CH2:4][CH2:5][C:6]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([N:15]([CH3:16])[CH3:17])[CH2:7][CH2:8]1.[Na+:42].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH-:41].[OH2:40].[c:18]1([O:24][C:25](=[O:19])[NH:26][CH:27]([CH2:28][c:29]2[cH:30][nH:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]23)[CH3:38])[cH:20][cH:21][cH:22][cH:23][cH:39]1>>[NH:1]([CH2:2][CH:3]1[CH2:4][CH2:5][C:6]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)([N:15]([CH3:16])[CH3:17])[CH2:7][CH2:8]1)[C:25](=[O:24])[NH:26][CH:27]([CH2:28][c:29]1[cH:30][nH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]12)[CH3:38]