HRID2138512

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+

HCID4962303

3,5-dimethylisoxazole-4-sulfonamide

C5H8N2O3S

结构：Cc1oc(C(=O)O)cc1CNc1ccc(-c2ccc(OC(F)F)cc2)cc1

HCID18444564

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1

HCID58824199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f387968220b4d1db926f4c6a11e499f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:37][c:38]1[n:39][o:40][c:41]([CH3:47])[c:42]1[S:43](=[O:44])(=[O:45])[NH2:46].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[F:10][CH:11]([O:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([NH:25][CH2:26][c:27]3[cH:28][c:29]([C:33](=[O:34])[OH:35])[o:30][c:31]3[CH3:32])[cH:23][cH:24]2)[cH:17][cH:18]1)[F:36].[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>>[F:10][CH:11]([O:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][cH:21][c:22]([NH:25][CH2:26][c:27]3[cH:28][c:29]([C:33](=[O:34])[NH:46][S:43]([c:42]4[c:38]([CH3:37])[n:39][o:40][c:41]4[CH3:47])(=[O:44])=[O:45])[o:30][c:31]3[CH3:32])[cH:23][cH:24]2)[cH:17][cH:18]1)[F:36]