HRID105504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID11789625

4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C5H4ClN5

HCID59400092

未命名化合物

PRODUCTS

生成物

结构：CN(c1nc(N)nc2[nH]ncc12)C1Cc2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1

HCID59400259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24128a67d8c04f65843d19db5e1770cf
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

[CH3:49][C:50]([N:51]([CH3:52])[CH3:53])=[O:54].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH:8]([NH:16][CH3:17])[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]32)[cH:18][cH:19][c:20]1[Cl:21].[Cl:29][c:30]1[c:31]2[c:32]([n:33][c:34]([NH2:36])[n:35]1)[nH:37][n:38][cH:39]2.[F:22][C:23]([F:24])([F:25])[C:26]([OH:27])=[O:28].[OH2:55]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:7][CH:8]([N:16]([CH3:17])[c:30]3[c:31]4[c:32]([n:33][c:34]([NH2:36])[n:35]3)[nH:37][n:38][cH:39]4)[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]32)[cH:18][cH:19][c:20]1[Cl:21]