HRID1128212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9253

Cyclopentane

C5H10

结构：Cc1ccc(C)n1C1C=CC(C(=O)NCc2cc(C(F)(F)F)ccc2OC(C)(C)C)(C(C)C)C1

HCID76839584

未命名化合物

结构：COC(=O)c1cccc(C2CCN(C3CCC(C(=O)OCc4ccccc4)(C(C)C)C3)CC2)c1

HCID76839596

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(C2CCN(C3CCC(C(=O)O)(C(C)C)C3)CC2)c1

HCID178497676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cd975c0d0194eb2ad59e36cf0a29e77
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]([O:2][c:3]1[cH:4][cH:5][c:6]([C:7]([F:8])([F:9])[F:10])[cH:11][c:12]1[CH2:13][NH:14][C:15]([C:16]1([CH:17]([CH3:18])[CH3:19])[CH2:20][CH:21]([n:22]2[c:23]([CH3:24])[cH:25][cH:26][c:27]2[CH3:28])[CH:29]=[CH:30]1)=[O:31])([CH3:32])([CH3:33])[CH3:34].[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[O:42][C:43](=[O:44])[C:45]1([CH:66]([CH3:67])[CH3:68])[CH2:46][CH:47]([N:50]2[CH2:51][CH2:52][CH:53]([c:56]3[cH:57][c:58]([C:59](=[O:60])[O:61][CH3:62])[cH:63][cH:64][cH:65]3)[CH2:54][CH2:55]2)[CH2:48][CH2:49]1.[CH2:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1>>[O:42]=[C:43]([OH:44])[C:45]1([CH:66]([CH3:67])[CH3:68])[CH2:46][CH:47]([N:50]2[CH2:51][CH2:52][CH:53]([c:56]3[cH:57][c:58]([C:59](=[O:60])[O:61][CH3:62])[cH:63][cH:64][cH:65]3)[CH2:54][CH2:55]2)[CH2:48][CH2:49]1