HRID2129577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID962

Water

H2O

HCID7239

1,2-Dichlorobenzene

C6H4Cl2

HCID104727

Aluminum Cation

Al+3

结构：Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc3c2ccn3Cc2ccccc2)c(C)c1

HCID57693556

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc3[nH]ccc23)c(C)c1

HCID57693560

4-[[4-[(2,4,6-Trimethylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzonitrile

C22H20N6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2530bede792047babbed39c7e2246bb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Al+3:37].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:27][c:28]1[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:15][c:16]2[NH:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24].[Cl-:36].[Cl-:38].[Cl-:39].[Cl:41][c:42]1[c:43]([Cl:44])[cH:45][cH:46][cH:47][cH:48]1.[OH2:40]>>[nH:8]1[cH:9][cH:10][c:11]2[c:12]1[n:13][c:14]([NH:27][c:28]1[cH:29][cH:30][c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:15][c:16]2[NH:17][c:18]1[c:19]([CH3:26])[cH:20][c:21]([CH3:25])[cH:22][c:23]1[CH3:24]