HRID316867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CCOC(=O)Nc1ccccc1N1CC2(CCN(C)CC2)c2ccccc21

HCID12801608

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID12801609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3335530edad94211b313298910550e52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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