HRID2138040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID9005

Trimethoxymethane

C4H10O3

HCID20765237

未命名化合物

HCID67979550

未命名化合物

PRODUCTS

生成物

结构：COC1CCC2(CC1)Cc1ccc(OCCCF)cc1C21N=C(C)C(=S)N1

HCID86667272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-394fefa02ccb4e5d9fd550948fda6bb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:30][CH:31]([OH:32])[CH3:33].[CH3:40][OH:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH:23]([O:24][CH3:25])([O:26][CH3:27])[O:28][CH3:29].[F:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:20]([cH:21]1)[C:19](=[NH:22])[C:11]1([CH2:10]2)[CH2:12][CH2:13][CH:14]([O:17][CH3:18])[CH2:15][CH2:16]1.[O:34]=[C:35]([C:36]([NH2:37])=[S:38])[CH3:39]>>[F:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]2[c:20]([cH:21]1)[C:19]1([C:11]3([CH2:10]2)[CH2:12][CH2:13][CH:14]([O:17][CH3:18])[CH2:15][CH2:16]3)[N:22]=[C:35]([CH3:39])[C:36](=[S:38])[NH:37]1