HRID2337066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID2824993

{4-[(tert-Butoxycarbonyl)amino]phenyl}acetic acid

C13H17NO4

HCID58762831

5,6-Diamino-3-[(2-fluorophenyl)methyl]-2,4(1H,3H)-pyrimidinedione

C11H11FN4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(N)[nH]c(=O)n(Cc3ccccc3F)c2=O)cc1

HCID58762847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09d8c9f5a3da44b982d201d83bbcf84d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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