HRID308467

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

HCID2736887

1-methyl-1H-imidazole-4-sulfonyl chloride

C4H5ClN2O2S

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

HCID178513520

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc(S(=O)(=O)N2CCC(c3n[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)c1

HCID178481299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-474713169b854d1db309807fe159d653
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:26][n:27]1[cH:28][n:29][c:30]([S:32](=[O:33])(=[O:34])[Cl:35])[cH:31]1.[CH3:36][N:37]([c:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1)[CH3:44].[ClH:1].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[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:32]([c:30]5[n:29][cH:28][n:27]([CH3:26])[cH:31]5)(=[O:33])=[O:34])[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