HRID115747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8068

1-Butanamine, N-methyl-

C5H13N

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCc1nn(-c2cc(C(=O)O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1

HCID11765128

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2cc(C(=O)N(C)CCCC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1

HCID10485202

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8df5c226998a46079ced02d6d0a2a413
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

[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH:35][C:36]([c:37]4[c:38]([Cl:43])[cH:39][cH:40][cH:41][cH:42]4)=[O:44])(=[O:45])=[O:46])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([Cl:19])[cH:12][cH:13][c:14]([C:16](=[O:17])[OH:18])[cH:15]2)[n:9]1.[CH3:56][CH2:57][CH2:58][CH2:59][NH:60][CH3:61].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:62][CH2:63][Cl:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29]([S:34]([NH:35][C:36]([c:37]4[c:38]([Cl:43])[cH:39][cH:40][cH:41][cH:42]4)=[O:44])(=[O:45])=[O:46])[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:7](=[O:20])[n:8](-[c:10]2[c:11]([Cl:19])[cH:12][cH:13][c:14]([C:16](=[O:18])[N:60]([CH2:59][CH2:58][CH2:57][CH3:56])[CH3:61])[cH:15]2)[n:9]1