HRID692570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID24841

Hydrogen iodide

HCID81531

Diisopropylethylamine

C8H19N

HCID21031100

未命名化合物

HCID140444318

未命名化合物

PRODUCTS

生成物

结构：NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCCCCc1ccc(OCC(=O)Nc2ncc[nH]2)cc1

HCID178512400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ca8e48dae3e4eb38115ddfcb3279874
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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