HRID164518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID832243

2-Amino-4-methylthiazole-5-carboxylic acid

C5H6N2O2S

结构：COc1c(OCCCN2CCOCC2)ccc2c1N=C(N)N1CCN=C21

HCID178493860

未命名化合物

PRODUCTS

生成物

结构：COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1sc(N)nc1C)N1CCN=C21

HCID178493859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09f4aba568c449ac96af34c5107e14f1
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

[CH3:1][O:2][c:3]1[c:4]([O:17][CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[cH:5][cH:6][c:7]2[c:12]1[N:11]=[C:10]([NH2:13])[N:9]1[C:8]2=[N:16][CH2:15][CH2:14]1.[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[NH2:27][c:28]1[s:29][c:30]([C:34](=[O:35])[OH:36])[c:31]([CH3:33])[n:32]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:1][O:2][c:3]1[c:4]([O:17][CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[cH:5][cH:6][c:7]2[c:12]1[N:11]=[C:10]([NH:13][C:34]([c:30]1[s:29][c:28]([NH2:27])[n:32][c:31]1[CH3:33])=[O:35])[N:9]1[C:8]2=[N:16][CH2:15][CH2:14]1