HRID194742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID15914

Phenyltrimethylammonium

C9H14N+

3 次

结构：CC(=O)c1ccc(OCc2ccccc2)c(N(Cc2ccccc2)S(C)(=O)=O)c1

HCID12363924

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N(Cc1ccccc1)c1cc(C(=O)CBr)ccc1OCc1ccccc1

HCID86607679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ea0c0f7cac84dc999c3990e0bb2ae11
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

[Br-:1].[Br-:2].[Br-:3].[C:34]([CH3:35])(=[O:36])[c:37]1[cH:38][cH:39][c:40]([O:55][CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:41]([N:43]([S:44](=[O:45])(=[O:46])[CH3:47])[CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:42]1.[C:63](=[O:64])([OH:65])[O-:66].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[Na+:67].[c:14]1([N+:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][cH:21][cH:22][cH:23]1.[c:24]1([N+:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30][cH:31][cH:32][cH:33]1.[c:4]1([N+:5]([CH3:6])([CH3:7])[CH3:8])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[Br:1][CH2:35][C:34](=[O:36])[c:37]1[cH:38][cH:39][c:40]([O:55][CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:41]([N:43]([S:44](=[O:45])(=[O:46])[CH3:47])[CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:42]1