HRID2138708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID2758642

N,N-dimethyl-2-piperazin-1-yl-acetamide

C8H17N3O

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

HCID59136046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24741357bb014e72b42d82083892af53
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

[CH3:26][N:27]([C:28]([CH2:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1)=[O:36])[CH3:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[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.[OH2:45]>>[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:33]1[CH2:32][CH2:31][N:30]([CH2:29][C:28]([N:27]([CH3:26])[CH3:37])=[O:36])[CH2:35][CH2:34]1