HRID2346200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID315243

2-Aminothiazole-5-carboxylic acid

C4H4N2O2S

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)c1cnc(N)s1)N1CCN=C21

HCID178493858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26ddaf4d11e14b3caec51f721a300ff2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[NH2:27][c:28]1[s:29][c:30]([C:33](=[O:34])[OH:35])[cH:31][n:32]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[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:33]([c:30]1[s:29][c:28]([NH2:27])[n:32][cH:31]1)=[O:34])[N:9]1[C:8]2=[N:16][CH2:15][CH2:14]1