HRID289859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID410817

O-Methyl-DL-leucine

C7H15NO2

结构：O=C(O)c1cnc(N2CCC(F)(F)CC2)c(OCC2CCCC2)n1

HCID68566571

未命名化合物

结构：CCCOc1nc(C(=O)NC(CO)CC(C)C)cnc1N1CCCC1

HCID178458939

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CC(C)C)NC(=O)c1cnc(N2CCC(F)(F)CC2)c(OCC2CCCC2)n1

HCID68567475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ab3daf6042e4eec905445a46affd682
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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