HRID136912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID2777760

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

C12H14N4S

HCID3517810

4-isocyanato-1,2-dimethoxybenzene

C9H9NO3

PRODUCTS

生成物

结构：COc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1OC

HCID68778676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba99d553b2314490a2054cf12adfafc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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