HRID2131237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID6555

1-Bromo-2-methylpropane

C4H9Br

HCID16028

Tetrabutylammonium

C16H36N+

结构：O=S(=O)(Nc1ccc(F)c(-c2n[nH]cc2Br)c1F)c1cc(F)ccc1F

HCID178527518

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1ncc(Br)c1-c1c(F)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F

HCID67184255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e7b863c600346049923d91bde5f532e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br-:35].[Br:6][c:7]1[c:8](-[c:12]2[c:13]([F:31])[c:14]([NH:19][S:20](=[O:21])(=[O:22])[c:23]3[c:24]([F:30])[cH:25][cH:26][c:27]([F:29])[cH:28]3)[cH:15][cH:16][c:17]2[F:18])[n:9][nH:10][cH:11]1.[CH2:1]([CH:2]([CH3:3])[CH3:4])[Br:5].[CH3:36][CH2:37][CH2:38][CH2:39][N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52].[Cl:32][CH2:33][Cl:34].[Na+:54].[OH-:53]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:9]1[c:8](-[c:12]2[c:13]([F:31])[c:14]([NH:19][S:20](=[O:21])(=[O:22])[c:23]3[c:24]([F:30])[cH:25][cH:26][c:27]([F:29])[cH:28]3)[cH:15][cH:16][c:17]2[F:18])[c:7]([Br:6])[cH:11][n:10]1