HRID1553732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：Cc1ccc(N)cc1-c1cc2cnc3[nH]ccc3c2n(C)c1=O

HCID59198525

未命名化合物

结构：CCN1CCN(c2cc(C(=O)O)cc(C(F)(F)F)c2)CC1

HCID59212518

3-(4-Ethyl-1-piperazinyl)-5-(trifluoromethyl)benzoic acid

C14H17F3N2O2

PRODUCTS

生成物

结构：CCN1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc6[nH]ccc6c5n(C)c4=O)c3)cc(C(F)(F)F)c2)CC1

HCID17757340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-291f9c68ea19445991589f3863f4f13f
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

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