HRID1203546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8140

1-Bromooctane

C8H17Br

HCID2723694

4'-Tert-butyl-4-chlorobutyrophenone

C14H19ClO

HCID23111483

未命名化合物

HCID23111492

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(N2CCN(CCCC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1F

HCID23111410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7fe609498a74e23b0f28b06e6b94383
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:47]([CH3:48])([CH3:49])([CH3:50])[c:51]1[cH:52][cH:53][c:54]([C:57]([CH2:58][CH2:59][CH2:60][Cl:61])=[O:62])[cH:55][cH:56]1.[CH2:1]([O:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[cH:13][c:14]1[F:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH2:22]([Br:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[F:31][c:32]1[c:33]([N:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:34][c:35]([F:40])[c:36]([O:38][CH3:39])[cH:37]1>>[F:31][c:32]1[c:33]([N:41]2[CH2:42][CH2:43][N:44]([CH2:60][CH2:59][CH2:58][C:57]([c:54]3[cH:53][cH:52][c:51]([C:47]([CH3:48])([CH3:49])[CH3:50])[cH:56][cH:55]3)=[O:62])[CH2:45][CH2:46]2)[cH:34][c:35]([F:40])[c:36]([O:38][CH3:39])[cH:37]1