HRID2152869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1ccc(NC(=O)c2ccc(N3CCNCC3)nc2)cc1

HCID59318019

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cn2)CC1

HCID59318107

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)nc2)c1

HCID59318114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22e70ace8c7e4d3897652e19631a44b3
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]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:25][cH:26][cH:27]3)=[O:32])[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:33]([c:34]1[cH:35][cH:36][c:37]([NH:38][C:39](=[O:40])[c:41]2[cH:42][cH:43][c:44]([N:45]3[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]3)[n:51][cH:52]2)[cH:53][cH:54]1)([CH3:55])([CH3:56])[CH3:57]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([C:20]([NH:21][c:22]3[cH:23][c:24]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:25][cH:26][cH:27]3)=[O:32])[cH:18][cH:19]2)[CH2:12][CH2:13]1