HRID156052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57365069

1,1-Dimethylethyl 3-(4-aminophenyl)-1-pyrrolidinecarboxylate

C15H22N2O2

结构：COc1ccccc1-c1ccc2cnc(OS(=O)(=O)C(F)(F)F)nn12

HCID86661678

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)C4)cc3)nn12

HCID66712106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16a18aa244e64faa82126cb39928f95a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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