HRID317799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

结构：O=C(O)c1cn(-c2ccc(F)cc2)c2cc(F)c(F)cc2c1=O

HCID10448622

6,7-Difluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C16H8F3NO3

HCID20087920

未命名化合物

PRODUCTS

生成物

结构：CC1(NC(=O)C(F)(F)F)CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1

HCID10096709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-767f54da03b541aea2a9c494ba4b282c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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