HRID304467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID527

Propanal

C3H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

结构：Cc1cccc(N2CCNCC2)c1C1=CC(C)(C)CC(C)(C)C1

HCID23141914

未命名化合物

PRODUCTS

生成物

结构：CCCN1CCN(c2cccc(C)c2C2=CC(C)(C)CC(C)(C)C2)CC1

HCID23142024

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc62e5860111407f8b8bebdcd3bec7ac
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

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