HRID170607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16794

Isocyanic acid, (alpha,alpha,alpha-trifluoro-o-tolyl) ester

C8H4F3NO

HCID2777760

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

C12H14N4S

PRODUCTS

生成物

结构：O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2nc(-c3ccccc3)ns2)CC1

HCID15979119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2adf6889f0ab450b849689d52e6d89ed
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].[F:25][C:26]([c:27]1[c:28]([N:33]=[C:34]=[O:35])[cH:29][cH:30][cH:31][cH:32]1)([F:36])[F: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:34]([NH:33][c:28]4[c:27]([C:26]([F:25])([F:36])[F:37])[cH:32][cH:31][cH:30][cH:29]4)=[O:35])[CH2:16][CH2:17]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1