HRID89601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID17999304

tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate

C14H22N4O2

结构：Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

HCID57832815

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C3(C)CC3)cc2NC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cc1

HCID59134458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30897914638e4515a623c9113cedfa24
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:56][S:57]([CH3:58])=[O:59].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[Cl:21][C:22]([Cl:23])([Cl:43])[CH2:44][O:24][C:25]([NH:26][c:27]1[n:28](-[c:36]2[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]2)[n:29][c:30]([C:32]2([CH3:35])[CH2:33][CH2:34]2)[cH:31]1)=[O:45].[OH2:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([NH:20][C:25](=[O:24])[NH:26][c:27]3[n:28](-[c:36]4[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]4)[n:29][c:30]([C:32]4([CH3:35])[CH2:33][CH2:34]4)[cH:31]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1