HRID1134823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID1483713

4-Methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylic acid

C10H8N2O2S

PRODUCTS

生成物

结构：Cc1nc(-c2ccncc2)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

HCID22627935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57a1646bb78147a5a775b84e207bb17d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH3:14][c:15]1[n:16][c:17](-[c:23]2[cH:24][cH:25][n:26][cH:27][cH:28]2)[s:18][c:19]1[C:20](=[O:21])[OH:22].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:20]([c:19]2[c:15]([CH3:14])[n:16][c:17](-[c:23]3[cH:24][cH:25][n:26][cH:27][cH:28]3)[s:18]2)=[O:21])[CH2:12][CH2:13]1