HRID146213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID100622

1-(4-Morpholinyl)-2-(1-piperazinyl)ethanone

C10H19N3O2

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID87323557

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1

HCID53401024

2-{4-[2-(4-tert-Butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one

C38H45Cl2N5O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e35af6d614eb4a84971940a5a7690b8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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