HRID191533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2762872

5-chloropyridine-2-carboxylic Acid

C6H4ClNO2

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCNC4)n[nH]c2c1

HCID178436901

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccc(Cl)cn3)C4)n[nH]c2c1

HCID178436914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-effcee342d9142da816b46ec439c6251
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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