HRID685304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

HCID4961261

4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole

C11H8N2OS

HCID59490552

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(NC(=O)N3CCc4c(cnc5[nH]ncc45)C3)c2)cs1

HCID59490779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7608e8d570bd4f0bb5608ee033e48b7c
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

[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH:21]([N:22]([CH2:23][CH3:24])[CH:25]([CH3:26])[CH3:27])([CH3:28])[CH3:29].[F:1][C:2]([F:3])([F:4])[C:5]([O-:6])=[O:7].[N:30](=[C:31]=[O:32])[c:33]1[cH:34][c:35](-[c:39]2[n:40][c:41]([CH3:44])[s:42][cH:43]2)[cH:36][cH:37][cH:38]1.[cH:8]1[n:9][nH:10][c:11]2[n:12][cH:13][c:14]3[c:19]([c:20]12)[CH2:18][CH2:17][NH2+:16][CH2:15]3>>[cH:8]1[n:9][nH:10][c:11]2[n:12][cH:13][c:14]3[c:19]([c:20]12)[CH2:18][CH2:17][N:16]([C:31]([NH:30][c:33]1[cH:34][c:35](-[c:39]2[n:40][c:41]([CH3:44])[s:42][cH:43]2)[cH:36][cH:37][cH:38]1)=[O:32])[CH2:15]3