HRID1112822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID13019

4-Hydroxybenzonitrile

C7H5NO

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID57538855

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C#N)cc3)CC2)CC1

HCID68443309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dacc22f772c4193a81fc35fcd2ead73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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