HRID144288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID8028

Tetrahydrofuran

C4H8O

HCID99129

Methyl (methylsulfinyl)methyl sulfide

C3H8OS2

HCID86643286

未命名化合物

PRODUCTS

产物

HCID91241234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-337df6eaa6ed480a9e8387c8c66adaba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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