HRID96936

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

HCID207112

Ethyl piperazine-1-acetate

C8H16N2O2

结构：CN(c1cccc2cc(-c3ncc(CCl)s3)[nH]c12)S(=O)(=O)c1cccs1

HCID57475969

未命名化合物

PRODUCTS

生成物

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

HCID59303517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bd75a9e9598438fb82e7e8198464b92
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

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