HRID1135836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID595230

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2F)CC1

HCID69308093

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCC(NC(=O)c2ccc3cc[nH]c3c2)c2ccccc2F)CC1

HCID69307908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc9a66d863354db1a9751434d9b34275
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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