HRID2350406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID24386

Thionyl chloride

Cl2OS

HCID53167

1-Methylpiperazine

C5H12N2

HCID3568003

Benzoic acid, 2-[[(4-methoxyphenyl)methyl]thio]-

C15H14O3S

HCID20067340

2-[(Phenylmethyl)thio]benzoyl chloride

C14H11ClOS

PRODUCTS

生成物

结构：COc1ccc(CSc2ccccc2C(=O)N2CCN(C)CC2)cc1

HCID69733570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-423518a834c64b08b9429cee38eb1449
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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