HRID317664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6586

Methyl chlorocarbonate

C2H3ClO2

反应SMILES：Cc1ccc(-c2noc(C3CNC3)n2)cc1NC(=O)c1cnc2ccccn12

HCID71281044

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)N1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1

HCID71280931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f3c10ee00ada463e8489e446dd9035e3
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

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