HRID116271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID207112

Ethyl piperazine-1-acetate

C8H16N2O2

结构：O=S(=O)(Nc1cccc2cc(-c3ncc(CCl)s3)[nH]c12)c1cccs1

HCID57476122

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN1CCN(Cc2cnc(-c3cc4cccc(NS(=O)(=O)c5cccs5)c4[nH]3)s2)CC1

HCID59136017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37a4f4a1f97b4822a9bad4e0d3a1d3c5
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

[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl-:45].[Cl:1][CH2:2][c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([NH:17][S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1.[N:26]1([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[NH4+:46]>>[CH2:2]([c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([NH:17][S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1)[N:29]1[CH2:28][CH2:27][N:26]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:31][CH2:30]1