HRID298243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)CCC(NC(=O)c1ccc(N)cc1)C(=O)OCC

HCID256289

未命名化合物

HCID10726310

Pyrido[2,3-d]pyrimidine-6-carboxaldehyde, 2,4-diamino-

C8H7N5O

PRODUCTS

生成物

结构：CCOC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3c2)cc1)C(=O)OCC

HCID335794

NSC346890

C24H29N7O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b8ba32894db4150bbfb618dddd6155c
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

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