HRID118979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID24841

Hydrogen iodide

HCID10487134

未命名化合物

结构：CCN(C(=O)OC(C)(C)C)C1CCC(c2c[nH]c3ccc(N)cc23)CC1

HCID57474462

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)OC(C)(C)C)C1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1

HCID178465425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29c562e3170d422f8c55829260b969c0
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

[CH3:28][S:29][C:30](=[NH:31])[c:32]1[s:33][cH:34][cH:35][cH:36]1.[CH3:37][CH2:38][OH:39].[IH:27].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([CH:11]3[CH2:12][CH2:13][CH:14]([N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][CH3:26])[CH2:15][CH2:16]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([CH:11]3[CH2:12][CH2:13][CH:14]([N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH2:25][CH3:26])[CH2:15][CH2:16]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1)[C:30](=[NH:31])[c:32]1[s:33][cH:34][cH:35][cH:36]1