HRID146267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID57416107

2-[4-(4-Aminophenyl)piperidin-1-yl]acetamide

C13H19N3O

结构：CN(c1ncccc1-c1ccc2cnc(O)nn12)S(C)(=O)=O

HCID178482362

未命名化合物

PRODUCTS

生成物

结构：CN(c1ncccc1-c1ccc2cnc(Nc3ccc(C4CCN(CC(N)=O)CC4)cc3)nn12)S(C)(=O)=O

HCID57392676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dcfb77fdc5644b98bc1b837abc7b2b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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