HRID114631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2777946

2,3,5-Trifluorophenylacetic acid

C8H5F3O2

HCID4641409

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

C10H15N6O+

HCID66823551

3-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H14N6

PRODUCTS

生成物

结构：Cn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc21

HCID53468039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b7fd84e91af4f41bbab2bff39b42729
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:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[F:21][c:22]1[c:23]([CH2:30][C:31](=[O:32])[OH:33])[cH:24][c:25]([F:29])[cH:26][c:27]1[F:28].[NH:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21.[OH2:67].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[N:1]1([C:31]([CH2:30][c:23]2[c:22]([F:21])[c:27]([F:28])[cH:26][c:25]([F:29])[cH:24]2)=[O:32])[CH2:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[n:11][n:12]([CH3:20])[c:13]4[n:14][cH:15][n:16][c:17]([NH2:19])[c:18]34)[cH:7][cH:8][c:9]21