HRID86340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID82604

Nicotinoyl chloride

C6H4ClNO

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1

HCID11360802

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C(=O)c5cccnc5)CC4)ncnc32)cc1

HCID11442982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2f2c721fbc8435ab37e8b5b59ec7e03
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

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