HRID195565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID31235

N-(2-Hydroxyethyl)aniline

C8H11NO

结构：CC(C)(C)OC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(OS(=O)(=O)C(F)(F)F)c2C1

HCID59333731

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1

HCID59333719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d1ae0faba034a5c8925c56ddbfbac4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:49][S:50]([CH3:51])=[O:52].[OH2:48].[c:1]1([NH:7][CH2:8][CH2:9][OH:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[o:11]1[cH:12][n:13][cH:14][c:15]1-[c:16]1[cH:17][cH:18][c:19]([NH:22][c:23]2[n:24][c:25]([O:40][S:41]([C:42]([F:43])([F:44])[F:45])(=[O:46])=[O:47])[c:26]3[c:27]([n:28]2)[CH2:29][CH2:30][N:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:32]3)[cH:20][cH:21]1>>[c:1]1([N:7]([CH2:8][CH2:9][OH:10])[c:25]2[n:24][c:23]([NH:22][c:19]3[cH:18][cH:17][c:16](-[c:15]4[o:11][cH:12][n:13][cH:14]4)[cH:21][cH:20]3)[n:28][c:27]3[c:26]2[CH2:32][N:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:30][CH2:29]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1