HRID1565492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID24247

Perchloric acid

HClO4

结构：CN(C)C(=O)c1cccc(-c2nn(COCC[Si](C)(C)C)c3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1

HCID59836180

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cccc(-c2n[nH]c3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc23)c1

HCID178484436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-becec45286364fcca787a11587c85080
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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