HRID283659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2734769

4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal

C10H18O3

结构：CCNc1ccc(OC(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID74348075

未命名化合物

PRODUCTS

生成物

结构：CCN(CCCCC1OCC(C)(C)CO1)c1ccc(OC(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID178463949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c3c51a6122f4e429f214bc3bc19623e
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

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