HRID1233458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

结构：CCC(=C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(OCOC)cc1)c1ccccc1

HCID68154874

未命名化合物

PRODUCTS

生成物

结构：CCC(=C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(O)cc1)c1ccccc1

HCID68154876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eab62337e5d4aa9b76a901a0bcd9a7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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