HRID183124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID68015

alpha,alpha-Difluoroanisole

C7H6F2O

结构：COc1ccc(N)cc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID10686178

TERT-BUTYL 4-(5-AMINO-2-METHOXYPHENYL)PIPERAZINE-1-CARBOXYLATE

C16H25N3O3

PRODUCTS

生成物

结构：COc1ccc(NS(=O)(=O)c2cccc(OC(F)F)c2)cc1N1CCN(C(=O)OC(C)(C)C)CC1

HCID57699506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baf4bd18c164437080e718dba3203b75
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([NH2:20])[cH:19]2)[CH2:12][CH2:13]1.[F:28][CH:29]([O:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[F:37].[S:23](=[O:24])(=[O:25])([Cl:26])[Cl:27].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:21][CH3:22])[cH:16][cH:17][c:18]([NH:20][S:23](=[O:24])(=[O:25])[c:35]3[cH:34][cH:33][cH:32][c:31]([O:30][CH:29]([F:28])[F:37])[cH:36]3)[cH:19]2)[CH2:12][CH2:13]1