HRID95601

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：O=C(O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1

HCID58531400

未命名化合物

HCID58531427

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1

HCID58531411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9814e8ef69de43d589811b94a2e2b2ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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