HRID104245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

6 次

HCID6344

Dichloromethane

CH2Cl2

HCID29936

Fe+3 ion

Fe+3

HCID69492155

未命名化合物

PRODUCTS

产物

HCID72326163

N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(3,4-dihydroxy-2-methylbutan-2-yl)oxypyrimidin-4-yl]azetidine-1-sulfonamide

C19H24F2N4O5S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-07c10b07c5ec4f28b2eb931b8cf998c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Cl-:50].[Cl-:52].[Cl-:53].[Cl:36][CH2:37][Cl:38].[F:1][c:2]1[c:3]([CH2:9][S:10][c:11]2[n:12][c:13]([O:25][C:26]([CH3:27])([CH3:28])[CH:29]3[O:30][C:31]([CH3:34])([CH3:35])[O:32][CH2:33]3)[cH:14][c:15]([NH:17][S:18](=[O:19])(=[O:20])[N:21]3[CH2:22][CH2:23][CH2:24]3)[n:16]2)[cH:4][cH:5][cH:6][c:7]1[F:8].[Fe+3:51].[Na+:39].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH:40][C:41](=[O:42])[O-:43]>>[F:1][c:2]1[c:3]([CH2:9][S:10][c:11]2[n:12][c:13]([O:25][C:26]([CH3:27])([CH3:28])[CH:29]([OH:30])[CH2:33][OH:32])[cH:14][c:15]([NH:17][S:18](=[O:19])(=[O:20])[N:21]3[CH2:22][CH2:23][CH2:24]3)[n:16]2)[cH:4][cH:5][cH:6][c:7]1[F:8]