HRID196207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

HCID231228

Benzyl 1-aminocyclopentane-1-carboxylate

C13H17NO2

HCID2782757

4-(4-fluorophenoxy)benzenesulfonyl Chloride

C12H8ClFO3S

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1

HCID11005171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83983d24d2d1489496eba4185cbe2297
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([NH2:16])[CH2:12][CH2:13][CH2:14][CH2:15]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[F:28][c:29]1[cH:30][cH:31][c:32]([O:33][c:34]2[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]2)[cH:44][cH:45]1.[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[C:11]1([NH:16][S:40]([c:37]2[cH:36][cH:35][c:34]([O:33][c:32]3[cH:31][cH:30][c:29]([F:28])[cH:45][cH:44]3)[cH:39][cH:38]2)(=[O:41])=[O:42])[CH2:12][CH2:13][CH2:14][CH2:15]1