HRID700168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID12719848

1-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

C12H12F3N

结构：Cc1nc(C)c(-c2cn(CCC=O)c(=O)[nH]c2=O)s1

HCID59448366

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C)c(-c2cn(CCCN3CC4CC4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)s1

HCID178432719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-159ccfb546814bc799a51428127d31b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:17][c:18]1[s:19][c:20](-[c:24]2[c:25](=[O:35])[nH:26][c:27](=[O:34])[n:28]([CH2:30][CH2:31][CH:32]=[O:33])[cH:29]2)[c:21]([CH3:23])[n:22]1.[CH3:36][C:37]#[N:38].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]23[CH2:10][NH:11][CH2:12][CH:13]2[CH2:14]3)[cH:7][cH:8]1)([F:15])[F:16]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9]23[CH2:10][N:11]([CH2:32][CH2:31][CH2:30][n:28]4[c:27](=[O:34])[nH:26][c:25](=[O:35])[c:24](-[c:20]5[s:19][c:18]([CH3:17])[n:22][c:21]5[CH3:23])[cH:29]4)[CH2:12][CH:13]2[CH2:14]3)[cH:7][cH:8]1)([F:15])[F:16]