HRID668290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)c(F)c2)c1

HCID59318037

未命名化合物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(Br)c(Cl)c2)c1

HCID59318068

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)c(Cl)c2)c1

HCID59318031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-676aff9632f341b78d4bee2f3fbbdc5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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