HRID2328386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7057

2-Naphthylamine

C10H9N

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1

HCID2795508

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid

C16H22N2O4

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1

HCID59318017

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1

HCID59317992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c4e982e23494d4ab74aa69a7894d357
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][cH:19]2)[CH2:12][CH2:13]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][cH:51][c:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57]3)[cH:58][cH:59]2)[CH2:60][CH2:61]1)=[O:62])([CH3:63])([CH3:64])[CH3:65].[cH:23]1[c:24]([NH2:33])[cH:25][cH:26][c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[NH:33][c:24]3[cH:23][c:32]4[c:27]([cH:26][cH:25]3)[cH:28][cH:29][cH:30][cH:31]4)[cH:18][cH:19]2)[CH2:12][CH2:13]1