HRID2320736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31268

Pyrrolidine

C4H9N

结构：CC(C)(CNC(=O)OC(C)(C)C)COc1cc(F)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1

HCID68533740

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CNC(=O)OC(C)(C)C)COc1cc(N2CCCC2)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1

HCID57860821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98c7bcef68b24a189b2e4fb7be1a32c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10]([CH2:11][O:12][c:13]1[c:14]([C:15](=[O:16])[NH:17][c:18]2[c:19]([C:20](=[O:21])[NH:22][c:23]3[n:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][c:36]([F:38])[cH:37]1)([CH3:39])[CH3:40].[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C:10]([CH2:11][O:12][c:13]1[c:14]([C:15](=[O:16])[NH:17][c:18]2[c:19]([C:20](=[O:21])[NH:22][c:23]3[n:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][c:36]([N:44]2[CH2:43][CH2:42][CH2:41][CH2:45]2)[cH:37]1)([CH3:39])[CH3:40]