HRID1537631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CN(C(=O)OCc2ccccc2)CC1OC(=O)c1ccc([N+](=O)[O-])cc1

HCID22147499

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1CN(C(=O)OCc2ccccc2)CC1O

HCID22147271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad150d53d3694392975c8f90cd7e1585
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:49](=[O:50])([OH:51])[O-:52].[CH3:54][OH:55].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([CH2:45][CH3:46])[c:12]([NH:17][CH:18]3[CH2:19][N:20]([C:35](=[O:36])[O:37][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH2:21][CH:22]3[O:23][C:24](=[O:25])[c:26]3[cH:27][cH:28][c:29]([N+:30]([O-:31])=[O:32])[cH:33][cH:34]3)[n:13][c:14]2[CH2:15][CH3:16])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Li+:48].[Na+:53].[OH-:47]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([CH2:45][CH3:46])[c:12]([NH:17][CH:18]3[CH2:19][N:20]([C:35](=[O:36])[O:37][CH2:38][c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH2:21][CH:22]3[OH:23])[n:13][c:14]2[CH2:15][CH3:16])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1