HRID1541289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6365

1,1-Dichloroethane

C2H4Cl2

反应SMILES：CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC2CO2)C1

HCID12072031

未命名化合物

HCID14924449

1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one

C13H17N3O

PRODUCTS

产物

反应SMILES：Cn1c(=O)n(C2CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ccccc21

HCID10304741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c058c8f7cb794286bd1ed7bfd4c30433
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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