HRID2148025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID70042

3-Benzyloxybenzyl alcohol

C14H13ClO

HCID18315403

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1NCc1ccc(OCc2ccccc2)cc1

HCID18681145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acdea1a4339e442aaff9ab8bcf2ea0ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][Cl:35])[cH:36][cH:37]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH:43]([Cl:44])([Cl:45])[Cl:46].[Na+:38].[OH2:52].[OH:39][C:40](=[O:41])[O-:42].[n:1]1[c:2]([CH2:7][NH:8][C:9]([c:10]2[cH:11][c:12]([NH2:20])[c:13]([NH:16][C:17]([CH3:18])=[O:19])[cH:14][cH:15]2)=[O:21])[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([CH2:7][NH:8][C:9]([c:10]2[cH:11][c:12]([NH:20][CH2:34][c:33]3[cH:32][cH:31][c:30]([O:29][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:37][cH:36]3)[c:13]([NH:16][C:17]([CH3:18])=[O:19])[cH:14][cH:15]2)=[O:21])[cH:3][cH:4][cH:5][cH:6]1