HRID305339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(OC(=N)C(Cl)(Cl)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID73028875

未命名化合物

结构：CCOC(=O)C1CCC(O)C(c2ccccc2C)C1C(=O)OCC

HCID178469077

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCC(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccccc2C)C1C(=O)OCC

HCID178469079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb1c2cade70342b1abc8fc138e3ac920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH:8]2[CH:9]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH:10]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:11][CH2:12][CH:13]2[OH:14])[cH:4][cH:5][cH:6][cH:7]1.[F:25][C:26]([c:27]1[cH:28][c:29]([CH:37]([CH3:38])[O:39][C:40](=[NH:41])[C:42]([Cl:43])([Cl:44])[Cl:45])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:46])[F:47]>>[CH3:1][c:2]1[c:3]([CH:8]2[CH:9]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH:10]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:11][CH2:12][CH:13]2[O:14][CH:37]([c:29]2[cH:28][c:27]([C:26]([F:25])([F:46])[F:47])[cH:32][c:31]([C:33]([F:34])([F:35])[F:36])[cH:30]2)[CH3:38])[cH:4][cH:5][cH:6][cH:7]1