HRID2130561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

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

HCID256289

未命名化合物

HCID487416

未命名化合物

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-254b38c59ca6458fb1bfcc3f1015d4e8
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

[Br:20].[NH2:21][c:22]1[n:23][c:24]([NH2:34])[c:25]2[c:26]([n:27]1)[n:28][cH:29][c:30]([CH2:32][OH:33])[cH:31]2.[NH2:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[NH:42][CH:43]([CH2:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[C:51](=[O:52])[O:53][CH2:54][CH3:55])[cH:56][cH:57]1.[OH2:58].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[NH2:21][c:22]1[n:23][c:24]([NH2:34])[c:25]2[c:26]([n:27]1)[n:28][cH:29][c:30]([CH2:32][NH:35][c:36]1[cH:37][cH:38][c:39]([C:40](=[O:41])[NH:42][CH:43]([CH2:44][CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[C:51](=[O:52])[O:53][CH2:54][CH3:55])[cH:56][cH:57]1)[cH:31]2