HRID2143491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4811429

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：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1

HCID59318021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5795c552f1144542b9852ae0e3a3922a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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