HRID2333856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID43264706

N2-Cyclopropyl-N2-methyl-2,5-pyridinediamine

C9H13N3

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：CN(c1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1)C1CC1

HCID59318124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c79ecd1e579e40fa91ea6706086cc972
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: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][cH:52][c:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[cH:58]3)[cH:59][cH:60]2)[CH2:61][CH2:62]1)=[O:63])([CH3:64])([CH3:65])[CH3:66].[CH2:23]1[CH:24]([N:26]([c:27]2[n:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[CH3:34])[CH2:25]1>>[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:30]3[cH:29][n:28][c:27]([N:26]([CH:24]4[CH2:23][CH2:25]4)[CH3:34])[cH:32][cH:31]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1