HRID2148471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID9588

Benzenesulfonyl chloride, 4-fluoro-

C6H4ClFO2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID22015351

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1

HCID10270693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7b17232e2a1454984c1e38e7a023c73
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

[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[c:11]3[cH:12][cH:13][nH:14][c:15]3[cH:16][cH:17][cH:18]2)[CH2:8][CH2:9]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[ClH:1].[ClH:2].[F:19][c:20]1[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[Cl:29])[cH:24][cH:25]1.[Na+:53].[OH-:52].[OH2:61].[S:30]([O-:31])([OH:32])(=[O:33])=[O:34]>>[CH3:3][N:4]1[CH2:5][CH2:6][N:7]([c:10]2[c:11]3[cH:12][cH:13][n:14]([S:26]([c:23]4[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]4)(=[O:27])=[O:28])[c:15]3[cH:16][cH:17][cH:18]2)[CH2:8][CH2:9]1