HRID2147512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID17860771

未命名化合物

HCID71439599

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：C#CC1CCC(C#N)N1C(=O)CNC1(C)CCN(c2ccc(C(F)(F)F)cn2)CC1

HCID178436423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de97fbbdd1dd44b483748a5264e21abd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:14][C:15]1([NH2:31])[CH2:16][CH2:17][N:18]([c:21]2[n:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[CH2:19][CH2:20]1.[CH3:41][C:42]#[N:43].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11])[NH:31][C:15]1([CH3:14])[CH2:16][CH2:17][N:18]([c:21]2[n:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[CH2:19][CH2:20]1.[ClH:1]