HRID94112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6811

Phthalic anhydride

C8H4O3

HCID8471

Triethylamine

C6H15N

结构：O=C(O)c1c(=O)c2cc(F)c(N3CCNCC3)cc2n2ccsc12

HCID3069130

5H-Thiazolo(3,2-a)quinoline-4-carboxylic acid, 7-fluoro-5-oxo-8-(1-piperazinyl)-

C16H14FN3O3S

PRODUCTS

生成物

结构：O=C(O)c1ccccc1C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sccn23)CC1

HCID13850707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-110d18d5453e46cfa85ec74a56e0ec74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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