HRID671347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2733366

Methyl 3-isocyanatobenzoate

C9H7NO3

HCID2777760

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

C12H14N4S

PRODUCTS

生成物

结构：COC(=O)c1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1

HCID68776379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-608196ef95674d6492847052ee218966
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

[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][O:26][C:27]([c:28]1[cH:29][c:30]([N:34]=[C:35]=[O:36])[cH:31][cH:32][cH:33]1)=[O:37].[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:35]([NH:34][c:30]4[cH:29][c:28]([C:27]([O:26][CH3:25])=[O:37])[cH:33][cH:32][cH:31]4)=[O:36])[CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1