HRID154961

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID75255

4-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperidin-4-ol

C12H14F3NO

结构：Cc1ccc(S(=O)(=O)OCC2COc3ccc4nc(C)oc4c3O2)cc1

HCID11268854

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc3c(c2o1)OC(CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)CO3

HCID10275548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-189bf2f22a594ca1a064e2f27f104f31
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

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