HRID118562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID57717474

tert-Butyl [2-amino-4-(thiophen-2-yl)phenyl]carbamate

C15H18N2O2S

HCID63164286

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1CCN(Cc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3NC(=O)OC(C)(C)C)cc2)C1

HCID72371113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60b7e3af96ab4b9f9322f2dd7aee921c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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