HRID124799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID11402272

2,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine

C8H7Cl2N5

HCID67155568

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3cc(C(F)(F)F)c(N4CCN(C)CC4)cc3F)ncc2Cl)n[nH]1

HCID67155312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf701928c5744f208b703adc1e346abc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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