HRID89491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID24841

Hydrogen iodide

结构：CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(CCCCN)cc1

HCID58664836

未命名化合物

HCID140444318

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(CCCCNC(N)=NC(=O)c2nc(Cl)c(N)nc2N)cc1

HCID178453552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25c57b2678214f7d8e4ab53887a22bec
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:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([NH:31][CH2:32][CH2:33][C:34]([NH:35][c:36]1[cH:37][cH:38][c:39]([CH2:42][CH2:43][CH2:44][CH2:45][NH2:46])[cH:40][cH:41]1)=[O:47])=[O:48].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:49][CH2:50][OH:51].[IH:1].[NH2:2][c:3]1[c:4]([C:11](=[O:12])[NH:13][C:14]([S:15][CH3:16])=[NH:17])[n:5][c:6]([Cl:10])[c:7]([NH2:9])[n:8]1>>[NH2:2][c:3]1[c:4]([C:11](=[O:12])[N:13]=[C:14]([NH2:17])[NH:46][CH2:45][CH2:44][CH2:43][CH2:42][c:39]2[cH:38][cH:37][c:36]([NH:35][C:34]([CH2:33][CH2:32][NH:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:48])=[O:47])[cH:41][cH:40]2)[n:5][c:6]([Cl:10])[c:7]([NH2:9])[n:8]1