HRID114511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID6212

Chloroform

CHCl3

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：Cc1c(OCC(F)(F)F)ccnc1CSc1nc2cc(N3CCN(C)CC3)c(F)cc2[nH]1

HCID18792762

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2cc(N3CCN(C)CC3)c(F)cc2[nH]1

HCID18792759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2021ba8364544111a0e5257463462c32
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

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