HRID837780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID15413

Methyl tert-butyl ether

C5H12O

HCID81531

Diisopropylethylamine

C8H19N

HCID2760505

2-(Pyridin-3-yl)benzoic acid

C12H9NO2

HCID4641409

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

C10H15N6O+

结构：CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(N)cc2F)CC1

HCID58157307

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3cccnc3)cc2F)CC1

HCID25134625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f796c67901ee4929be0faa0d9cc91de2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:82]([O:83][CH3:84])([CH3:85])([CH3:86])[CH3:87].[CH3:79][CH2:80][OH:81].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl:88][CH2:89][Cl:90].[NH2:1][c:2]1[cH:3][c:4]([F:28])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH:14]([C:15](=[O:16])[N:17]([CH2:18][CH3:19])[CH2:20][CH3:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:78].[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[OH-:77].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:29]1[cH:30][c:31](-[c:35]2[c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41][cH:42][cH:43]2)[cH:32][cH:33][cH:34]1.[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH:14]([C:15](=[O:16])[N:17]([CH2:18][CH3:19])[CH2:20][CH3:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1)[C:37]([c:36]1[c:35](-[c:31]2[cH:30][n:29][cH:34][cH:33][cH:32]2)[cH:43][cH:42][cH:41][cH:40]1)=[O:38]