HRID1552180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID21081529

1-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

C13H10FNO3

结构：Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)cc1F

HCID58158468

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)cc2F)c(=O)n1-c1ccc(F)cc1

HCID58158452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ac1c2de0ee24723a20800e49eaee2e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:76](=[O:77])([O-:78])[OH:79].[CH3:81][N:82]([CH3:83])[C:84](=[O:85])[CH3:86].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[F:25][c:26]1[cH:27][cH:28][c:29](-[n:32]2[c:33](=[O:42])[c:34]([C:39](=[O:40])[OH:41])[cH:35][cH:36][c:37]2[CH3:38])[cH:30][cH:31]1.[NH2:1][c:2]1[c:3]([F:24])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1.[Na+:80].[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[NH:1]([c:2]1[c:3]([F:24])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1)[C:39]([c:34]1[c:33](=[O:42])[n:32](-[c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[c:37]([CH3:38])[cH:36][cH:35]1)=[O:40]