HRID1126091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID11344959

5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C13H13FN2

结构：COc1cccc2c1OC(COS(=O)(=O)c1ccc(C)cc1)C=C2

HCID22734534

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1OC(CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)C=C2

HCID10200402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cdcf72d306f40c8bfda934ab08e6b08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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