HRID175782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID416902

1,5-Dimethyl glutamate

C7H13NO4

结构：Nc1nc2[nH]cc(CCc3ccc(C(=O)O)cc3)c2c(=O)[nH]1

HCID135405776

4-[2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

C15H14N4O3

HCID178491909

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)OC

HCID136166097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed08360fddca4ac4be1b26cd944deddc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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