HRID190229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736256

1,2-dimethyl-1H-imidazole-4-sulfonyl chloride

C5H7ClN2O2S

结构：NC(=O)c1cc(-c2ccccc2)cc2c(C3CCNCC3)n[nH]c12

HCID178513520

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(S(=O)(=O)N2CCC(c3n[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)cn1C

HCID178433558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1b1bff2f0c74dbb97fe820f7deb5f79
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:35][n:36]1[c:37]([CH3:45])[n:38][c:39]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:40]1.[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[ClH:1].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[c:2]1(-[c:8]2[cH:9][c:10]3[c:11]([CH:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[n:12][nH:13][c:14]3[c:15]([C:17](=[O:18])[NH2:19])[cH:16]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1(-[c:8]2[cH:9][c:10]3[c:11]([CH:20]4[CH2:21][CH2:22][N:23]([S:41]([c:39]5[n:38][c:37]([CH3:45])[n:36]([CH3:35])[cH:40]5)(=[O:42])=[O:43])[CH2:24][CH2:25]4)[n:12][nH:13][c:14]3[c:15]([C:17](=[O:18])[NH2:19])[cH:16]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1