HRID284510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID70629

2-(Piperazin-1-yl)propan-1-ol

C7H16N2O

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(CCc2cc(NC(=O)c3ccc(F)cc3)[nH]n2)cc(OC)c1

HCID178489757

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3ccc(N4CCN(C(C)CO)CC4)cc3)[nH]n2)cc(OC)c1

HCID178489777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-332e9f0d201449bcb799689234735563
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

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