HRID2327151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74573

5-Phenyl-1-pentyne

C11H12

结构：CC1(C)OC(=O)c2ccc(N(Cc3ccc(Br)cc3)C(=O)CCC3CCCC3)cc2O1

HCID57841396

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=O)c2ccc(N(Cc3ccc(C#CCCCc4ccccc4)cc3)C(=O)CCC3CCCC3)cc2O1

HCID57841352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-584ed1395adf44dfa22f38a763d123f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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