HRID666877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID68502061

Acetamide, N-[2-(2-fluoro-6-hydroxyphenyl)ethyl]-

C10H12FNO2

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOS(=O)(=O)c2ccc(C)cc2)cc1

HCID86609984

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2cccc(F)c2CCNC(C)=O)cc1

HCID68572204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bec3b334d32f4eccb494dd46529eec52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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