HRID1152951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID15413

Methyl tert-butyl ether

C5H12O

HCID4574913

未命名化合物

HCID58347290

未命名化合物

结构：O=S(=O)(c1cccs1)N1CCNC(COCc2ccccc2)C1

HCID66582740

未命名化合物

PRODUCTS

生成物

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2COCc2ccccc2)cc1)C(F)(F)F

HCID66582575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5111fa9971b4f2390b44f8e9c5225b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:6][cH:7]1.[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:22][CH2:23][CH:24]1[CH2:25][N:26]([S:30](=[O:31])(=[O:32])[c:33]2[s:34][cH:35][cH:36][cH:37]2)[CH2:27][CH2:28][NH:29]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:44][O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Na+:43].[OH2:50]>>[c:2]1([N:29]2[CH:24]([CH2:23][O:22][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:25][N:26]([S:30](=[O:31])(=[O:32])[c:33]3[s:34][cH:35][cH:36][cH:37]3)[CH2:27][CH2:28]2)[cH:3][cH:4][c:5]([C:8]([C:9]([F:10])([F:11])[F:12])([CH3:13])[OH:14])[cH:6][cH:7]1