HRID2161142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID599475

7-Quinolinecarboxylic acid

C10H7NO2

HCID2733180

未命名化合物

HCID11839197

methyl 4-amino-2-chlorobenzoate

C8H8ClNO2

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)c2ccc3cccnc3c2)cc1Cl

HCID68698438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e6ff3a850f24e8e8fc7b85812225d0b
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

[Br:8][P+:9]([N:10]1[CH2:11][CH2:12][CH2:13][CH2:14]1)([N:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[N:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1.[CH3:47][O:48][C:49]([c:50]1[c:51]([Cl:57])[cH:52][c:53]([NH2:56])[cH:54][cH:55]1)=[O:58].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:34]1[cH:35][cH:36][cH:37][c:38]2[cH:39][cH:40][c:41]([C:44](=[O:45])[OH:46])[cH:42][c:43]12>>[n:34]1[cH:35][cH:36][cH:37][c:38]2[cH:39][cH:40][c:41]([C:44](=[O:46])[NH:56][c:53]3[cH:52][c:51]([Cl:57])[c:50]([C:49]([O:48][CH3:47])=[O:58])[cH:55][cH:54]3)[cH:42][c:43]12