HRID1239117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8082

Piperidine

C5H11N

结构：CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N2Cc3ccccc3CC2c2nc(-c3ccccc3)c[nH]2)cc1

HCID178450149

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Oc1ccc(CC(N)C(=O)N2Cc3ccccc3CC2c2nc(-c3ccccc3)c[nH]2)cc1

HCID178450148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ae2884a9a7244ce8346816da33f49dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH3:61][OH:62].[cH:7]1[c:8]2[c:20]([cH:21][cH:22][cH:60]1)-[c:15]1[c:14]([cH:19][cH:18][cH:17][cH:16]1)[CH:9]2[CH2:10][O:11][C:12](=[O:13])[NH:23][CH:24]([C:25]([N:26]1[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[CH2:34][CH:35]1[c:36]1[nH:37][cH:38][c:39](-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[n:40]1)=[O:47])[CH2:48][c:49]1[cH:50][cH:51][c:52]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[cH:53][cH:54]1>>[NH2:23][CH:24]([C:25]([N:26]1[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[CH2:34][CH:35]1[c:36]1[nH:37][cH:38][c:39](-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[n:40]1)=[O:47])[CH2:48][c:49]1[cH:50][cH:51][c:52]([O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[cH:53][cH:54]1