HRID1138378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2757302

4-tert-Butylphenylacetylene

C12H14

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#Cc4ccc(C(C)(C)C)cc4)cc3)C(=O)CCC3CCCC3)cc2O1

HCID57841343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-175aced750d14f8fa8f13d79a7eae172
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

[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]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][c:39]([C:42]#[CH:43])[cH:40][cH:41]1>>[c:2]1([C:43]#[C:42][c:39]2[cH:38][cH:37][c:36]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:41][cH:40]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