HRID1125454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8079

Cyclohexene

C6H10

结构：Cc1cc(C(=O)N2CCc3nc(C)n(Cc4ccccc4)c3-c3ccccc32)ccc1CNC(=O)C1CCN(CCC(C)(C)C)CC1

HCID57555226

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(CNC(=O)C3CCN(CCC(C)(C)C)CC3)c(C)c1)CC2

HCID178432325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-641f8512106b493eb4c5348d4a29ec54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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