HRID1209840

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：Nc1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2Cl)c(F)c1

HCID58133601

未命名化合物

HCID60204207

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccnc(N=C(c3ccccc3)c3ccccc3)c2Cl)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O

HCID86650689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8368efb711b04e57a443aebafdce1aa2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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