HRID678515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：O=C(O)c1cn(-c2ccc(F)cc2F)c2cc(F)c(F)cc2c1=O

HCID59804

1-(2,4-DIFLUOROPHENYL)-6,7-DIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID

C16H7F4NO3

HCID54547656

未命名化合物

PRODUCTS

生成物

结构：CON=C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC12CN(C(=O)OC(C)(C)C)C2

HCID53830071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf20fb3233ff43ff87d5e62f8bd5e2f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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