HRID100818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7852

Propylamine

C3H9N

HCID1501912

4'-Bromomethyl-2-cyanobiphenyl

C14H10BrN

HCID10487287

7-chloro-5-methylpyrazolo[1,5-a]pyrimidine

C7H6ClN3

HCID15338355

未命名化合物

PRODUCTS

生成物

结构：CCCN(Cc1ccc(-c2ccccc2C#N)cc1)c1cc(C)nc2ccnn12

HCID19975933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feefa902bfeb4229b23081f3f260cea4
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

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