HRID2139288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9837

Benzeneacetic acid, 4-fluoro-

C8H7FO2

HCID15908

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

C8H17N3

结构：Cc1ccn2nc(N)c(-c3ccc(OC(F)(F)F)cc3)c2n1

HCID68750021

未命名化合物

PRODUCTS

生成物

结构：Cc1ccn2nc(NC(=O)Cc3ccc(F)cc3)c(-c3ccc(OC(F)(F)F)cc3)c2n1

HCID68751603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abe3c93431a346a7809e5ea1756cc8f9
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

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