HRID2131139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24841

Hydrogen iodide

结构：CC(C)(C)OC(=O)NCCOC(=O)COc1ccc(CCCCN)cc1

HCID67351833

未命名化合物

HCID140444318

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCOC(=O)COc1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1

HCID178453774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d52fe4a6c6641e9a59d2b9b2ef86fac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([O:2][CH2:3][CH3:4])(=[O:5])[CH3:6].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][O:17][C:18]([CH2:19][O:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH2:28][CH2:29][CH2:30][NH2:31])[cH:25][cH:26]1)=[O:32].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[IH:40].[NH2:41][c:42]1[c:43]([C:50](=[O:51])[NH:52][C:53]([S:54][CH3:55])=[NH:56])[n:44][c:45]([Cl:49])[c:46]([NH2:48])[n:47]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH2:15][CH2:16][O:17][C:18]([CH2:19][O:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH2:28][CH2:29][CH2:30][NH:31][C:53](=[N:52][C:50]([c:43]2[c:42]([NH2:41])[n:47][c:46]([NH2:48])[c:45]([Cl:49])[n:44]2)=[O:51])[NH2:56])[cH:25][cH:26]1)=[O:32]