HRID202331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3525005

methyl 2-methyloxirane-2-carboxylate

C5H8O3

结构：COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(F)C(=O)N2C

HCID25252765

未命名化合物

HCID57955635

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCCC1)CC(C)(F)C(=O)N2C

HCID25252767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51f93725d8b94c739bd85e096c50f5df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:56][C:57]1([C:58]([O:59][CH3:60])=[O:61])[CH2:62][O:63]1.[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:38][CH3:39])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]5[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]5)[cH:36][cH:37]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([CH3:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:40]1([NH:41][CH2:42][C:43]([F:44])([CH3:45])[C:46]([O:47][CH2:48][CH3:49])=[O:50])[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:38][CH3:39])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]5[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]5)[cH:36][cH:37]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([CH3:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:40][CH2:5]1