HRID682815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7972

4-Methylmorpholine

C5H11NO

HCID8728

Cyclopentane, bromo-

C5H9Br

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCNCC3)cc2)CC1

HCID54032127

未命名化合物

PRODUCTS

生成物

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)CC1

HCID53994316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd7b1fa737904e2a869d334354297ea5
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

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