HRID97979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID20467

Tetrazol-5-ylamine

CH3N5

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)CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1

HCID25125452

未命名化合物

PRODUCTS

生成物

结构：O=C(CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1)Nc1nn[nH]n1

HCID25126452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f9a6c2776b94e568c211a6cbbad4aee
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

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