HRID175768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28557

18-Crown-6

C12H24O6

HCID3280088

未命名化合物

HCID9920569

2-CHLORO-1,3-DIMETHYL-5-NITROBENZENE

C8H8ClNO2

HCID22344868

未命名化合物

PRODUCTS

生成物

结构：Cc1cc([N+](=O)[O-])cc(C)c1Oc1ccc(O)c(S(=O)(=O)c2ccc(F)cc2)c1

HCID22344899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c51a793100f4dd2844b79de6d061e07
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

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