HRID108730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2775133

1-Ethynyl-4-propylbenzene

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：CCCc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

HCID57841367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e649a58e7d2c40d7910b7aa266c6a662
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[CH2:32]([CH2:33][CH3:34])[c:35]1[cH:36][cH:37][c:38]([C:41]#[CH:42])[cH:39][cH:40]1>>[c:2]1([C:42]#[C:41][c:38]2[cH:37][cH:36][c:35]([CH2:32][CH2:33][CH3:34])[cH:40][cH:39]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