HRID102351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID78373

Methanamine, 1,1-dimethoxy-N,N-dimethyl-

C5H13NO2

HCID80264

Thiocarbonyldiimidazole

C7H6N4S

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID12093220

tert-Butyl 4-carbamothioylpiperazine-1-carboxylate

C10H19N3O2S

PRODUCTS

生成物

结构：CN(C)C=NC(=S)N1CCN(C(=O)OC(C)(C)C)CC1

HCID86606774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d374bc903c04469a46a37869b9f74b9
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:38]([n:39]1[cH:40][cH:41][n:42][cH:43]1)([n:44]1[cH:45][cH:46][n:47][cH:48]1)=[S:49].[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([C:22]([NH2:23])=[S:24])[CH2:20][CH2:21]1.[CH3:1][O:2][CH:3]([N:4]([CH3:5])[CH3:6])[O:7][CH3:8].[N:25]1([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[NH3:50]>>[CH:3]([N:4]([CH3:5])[CH3:6])=[N:23][C:22]([N:19]1[CH2:18][CH2:17][N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:21][CH2:20]1)=[S:24]