HRID137647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)c1ccc(CN(CCc2cccc(OCc3ccccc3)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

HCID68562844

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2cccc(O)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

HCID68561896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c5180e64c8a4a99877495a68ccdae7c
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH2:15][CH2:16][N:17]([C:18]([c:19]2[c:20]([F:30])[c:21]([Cl:29])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]2)=[O:31])[CH2:32][c:33]2[cH:34][cH:35][c:36]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:37][cH:38]2)[cH:12][cH:13][cH:14]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48]>>[OH:8][c:9]1[cH:10][c:11]([CH2:15][CH2:16][N:17]([C:18]([c:19]2[c:20]([F:30])[c:21]([Cl:29])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]2)=[O:31])[CH2:32][c:33]2[cH:34][cH:35][c:36]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:37][cH:38]2)[cH:12][cH:13][cH:14]1