HRID701402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：CC(=O)c1c(Cl)nc(Cl)nc1Nc1ccccc1S(=O)(=O)C(C)C

HCID58290876

未命名化合物

结构：Cc1cc(N)c(OC(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1

HCID59764580

1,1-Dimethylethyl 4-[4-amino-2-methyl-5-(1-methylethoxy)phenyl]-1-piperidinecarboxylate

C20H32N2O3

PRODUCTS

生成物

结构：CC(=O)c1c(Cl)nc(Nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cc2OC(C)C)nc1Nc1ccccc1S(=O)(=O)C(C)C

HCID58290910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba9f4a00cb274a9da481bbfd786c7246
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[N:32]1[CH2:33][CH2:34][CH:35]([c:38]2[c:39]([CH3:49])[cH:40][c:41]([NH2:48])[c:42]([O:44][CH:45]([CH3:46])[CH3:47])[cH:43]2)[CH2:36][CH2:37]1.[CH3:50][CH2:51][OH:52].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]2)[c:5]([C:9]([CH3:10])=[O:11])[c:6]([Cl:8])[n:7]1>>[c:2]1([NH:48][c:41]2[cH:40][c:39]([CH3:49])[c:38]([CH:35]3[CH2:34][CH2:33][N:32]([C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[CH2:37][CH2:36]3)[cH:43][c:42]2[O:44][CH:45]([CH3:46])[CH3:47])[n:3][c:4]([NH:12][c:13]2[c:14]([S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[cH:15][cH:16][cH:17][cH:18]2)[c:5]([C:9]([CH3:10])=[O:11])[c:6]([Cl:8])[n:7]1