HRID286924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2735695

4-tert-Butylphenyl isocyanate

C11H13NO

HCID2777760

3-Phenyl-5-piperazino-1,2,4-thiadiazole

C12H14N4S

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1

HCID68779383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c89d2803a7d4fbdb4f8dc02780b7f2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[cH:30][cH:31][c:32]([N:35]=[C:36]=[O:37])[cH:33][cH:34]1.[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[c:1]1(-[c:7]2[n:8][s:9][c:10]([N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][s:9][c:10]([N:12]3[CH2:13][CH2:14][N:15]([C:36]([NH:35][c:32]4[cH:31][cH:30][c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:34][cH:33]4)=[O:37])[CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1