HRID1131008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2775133

1-Ethynyl-4-propylbenzene

C11H12

结构：CCOC(=O)C(=O)N(Cc1ccc(C(F)(F)F)cc1)Cc1ccc2occ(Br)c2c1

HCID67188647

未命名化合物

PRODUCTS

生成物

结构：CCCc1ccc(C#Cc2coc3ccc(CN(Cc4ccc(C(F)(F)F)cc4)C(=O)C(=O)OCC)cc23)cc1

HCID67186980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e27d5a7f25840d1afcc203d57a48f5f
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

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