HRID104023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8082

Piperidine

C5H11N

HCID572345

4-(Methylsulfonyl)phenylacetic acid

C9H10O4S

结构：CC(C)(c1cc(-c2cccc(C=O)c2)c2ncccc2c1)S(C)(=O)=O

HCID10155043

未命名化合物

PRODUCTS

生成物

结构：CC(C)(c1cc(-c2cccc(C=C(C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O

HCID68886252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a3f0bab4d49485698824912da697f80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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