HRID88094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

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+

HCID58788314

未命名化合物

HCID59264602

未命名化合物

PRODUCTS

产物

HCID24771861

methyl 2-[4-({[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1(4H)-quinazolinyl]acetyl}{[4'-(trifluoromethyl)-4-biphenylyl]methyl}amino)-1-piperidinyl]-2-methylpropanoate

C42H41F5N4O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fb8c6a924fc8450a905dd396b00bb2da
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

[CH3:26][C:27]([C:28](=[O:29])[O:30][CH3:31])([CH3:32])[N:33]1[CH2:34][CH2:35][CH:36]([NH:39][CH2:40][c:41]2[cH:42][cH:43][c:44](-[c:47]3[cH:48][cH:49][c:50]([C:53]([F:54])([F:55])[F:56])[cH:51][cH:52]3)[cH:45][cH:46]2)[CH2:37][CH2:38]1.[CH3:90][C:91]#[N:92].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:24])[OH:25])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[n:20]2)[cH:4][cH:5][cH:6][c:7]1[F:8].[P-:66]([F:67])([F:68])([F:69])([F:70])([F:71])[F:72].[n:73]1([O:74][C:75]([N:76]([CH3:77])[CH3:78])=[N+:79]([CH3:80])[CH3:81])[c:82]2[n:83][cH:84][cH:85][cH:86][c:87]2[n:88][n:89]1>>[F:1][c:2]1[c:3]([CH2:9][CH2:10][c:11]2[n:12]([CH2:22][C:23](=[O:25])[N:39]([CH:36]3[CH2:35][CH2:34][N:33]([C:27]([CH3:26])([C:28](=[O:29])[O:30][CH3:31])[CH3:32])[CH2:38][CH2:37]3)[CH2:40][c:41]3[cH:42][cH:43][c:44](-[c:47]4[cH:48][cH:49][c:50]([C:53]([F:54])([F:55])[F:56])[cH:51][cH:52]4)[cH:45][cH:46]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19](=[O:21])[n:20]2)[cH:4][cH:5][cH:6][c:7]1[F:8]