HRID107237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID79443

Benzene, 1-isocyanato-4-methoxy-

C8H7NO2

HCID2777760

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

C12H14N4S

PRODUCTS

生成物

结构：COc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1

HCID15980696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcf3c398466b4e0881ae1740e5f392ef
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

[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([N:33]=[C:34]=[O:35])[cH:31][cH:32]1.[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]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:34]([NH:33][c:30]4[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:32][cH:31]4)=[O:35])[CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1