HRID207306

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID123062

1-(Bromomethyl)-4-(trifluoromethyl)benzene

C8H6BrF3

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)N4CCC5(CCNCC5)C4)cc3)oc12

HCID68745601

2-[4-(2,8-Diazaspiro[4.5]dec-2-ylcarbonyl)phenyl]-7-isopropyl-1,3-benzoxazole-5-carbonitrile

C26H28N4O2

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)N4CCC5(CCN(Cc6ccc(C(F)(F)F)cc6)CC5)C4)cc3)oc12

HCID25169586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b550d8bb200b47fbaf6070bccad3652b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]1[N:2]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[o:20][c:21]4[c:22]([n:23]3)[cH:24][c:25]([C:31]#[N:32])[cH:26][c:27]4[CH:28]([CH3:29])[CH3:30])[cH:17][cH:18]2)[CH2:3][CH2:4][C:5]12[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:54][CH2:55][Cl:56].[F:42][C:43]([c:44]1[cH:45][cH:46][c:47]([CH2:48][Br:49])[cH:50][cH:51]1)([F:52])[F:53]>>[CH2:1]1[N:2]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[o:20][c:21]4[c:22]([n:23]3)[cH:24][c:25]([C:31]#[N:32])[cH:26][c:27]4[CH:28]([CH3:29])[CH3:30])[cH:17][cH:18]2)[CH2:3][CH2:4][C:5]12[CH2:6][CH2:7][N:8]([CH2:48][c:47]1[cH:46][cH:45][c:44]([C:43]([F:42])([F:52])[F:53])[cH:51][cH:50]1)[CH2:9][CH2:10]2