HRID1226272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID19660

Carbonate

CO3-2

HCID15133607

未命名化合物

HCID136403540

未命名化合物

PRODUCTS

产物

HCID66618074

2-{4-Amino-2-[(3-chloro-4-methoxy-5-methylpyridin-2-yl)methyl]-2,7-dihydro-6-thia-1,2,3,5-tetraazabenzo[cd]azulen-8-yl}-N-methylacetamide

C19H20ClN7O2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d54cdf66feb945798a2afd415a274b8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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