HRID2311816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID59317999

未命名化合物

结构：Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1I

HCID59318184

未命名化合物

PRODUCTS

生成物

结构：CCn1ccc2ccc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cc21

HCID59318006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9439d66984c841d8ac391a5dafc5fa38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:22](=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[C:35]([O:36][C:37]([N:38]1[CH2:39][CH2:40][N:41]([c:42]2[cH:43][cH:44][c:45]([C:46](=[O:47])[NH:48][c:49]3[cH:50][cH:51][c:52]([CH3:53])[c:54]([I:55])[cH:56]3)[cH:57][n:58]2)[CH2:59][CH2:60]1)=[O:61])([CH3:62])([CH3:63])[CH3:64].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][n:15]([CH2:18][CH3:19])[c:16]3[cH:17]2)[cH:20][cH:21]1>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:34][CH2:33]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][n:15]([CH2:18][CH3:19])[c:16]3[cH:17]2)[cH:20][cH:21]1