HRID2338282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID88747

2-(Piperazin-1-yl)pyrimidine

C8H12N4

结构：CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)C(C)S2

HCID10380740

Ethyl 6,7-difluoro-1-methyl-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

C14H11F2NO3S

PRODUCTS

生成物

结构：CCOC(=O)c1c2n(c3cc(N4CCN(c5ncccn5)CC4)c(F)cc3c1=O)C(C)S2

HCID21473341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae34b29e75c44c4097f0c5938be8b27b
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

[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[ClH:27].[ClH:28].[F:6][c:7]1[cH:8][c:9]2[c:10](=[O:26])[c:11]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:12]3[n:13]([c:14]2[cH:15][c:16]1[F:17])[CH:18]([CH3:20])[S:19]3.[OH2:41].[n:29]1[c:30]([N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[n:31][cH:32][cH:33][cH:34]1>>[F:6][c:7]1[cH:8][c:9]2[c:10](=[O:26])[c:11]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[c:12]3[n:13]([c:14]2[cH:15][c:16]1[N:38]1[CH2:37][CH2:36][N:35]([c:30]2[n:29][cH:34][cH:33][cH:32][n:31]2)[CH2:40][CH2:39]1)[CH:18]([CH3:20])[S:19]3