HRID2323991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

结构：CC1(C)CN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CCN1

HCID59540716

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1(C)C

HCID59540528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a9a3364ce3a4ca08c1e53cda0ba43b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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