HRID153450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID2734060

未命名化合物

HCID68553630

4-Methyl-2-(2-thiazolyl)-5-pyrimidinecarboxylic acid

C9H7N3O2S

HCID178430955

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2nccs2)ncc1C(=O)Nn1cc(C)c2cc(F)ccc21

HCID59199999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad1b2f5eb70d4d86a6b6ecce87e2a736
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][c:2]1[n:3][c:4](-[c:11]2[s:12][cH:13][cH:14][n:15]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[OH:10].[CH3:29][N:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[CH3:37][O:38][c:39]1[n:40][c:41]([O:42][CH3:43])[n:44][c:45]([N+:46]2([CH3:47])[CH2:48][CH2:49][O:50][CH2:51][CH2:52]2)[n:53]1.[Cl-:16].[Cl-:36].[F:17][c:18]1[cH:19][c:20]2[c:21]([CH3:28])[cH:22][n:23]([NH3+:27])[c:24]2[cH:25][cH:26]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59]>>[CH3:1][c:2]1[n:3][c:4](-[c:11]2[s:12][cH:13][cH:14][n:15]2)[n:5][cH:6][c:7]1[C:8](=[O:10])[NH:27][n:23]1[cH:22][c:21]([CH3:28])[c:20]2[cH:19][c:18]([F:17])[cH:26][cH:25][c:24]21