HRID283234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID608544

5-bromopyridine-2-carboxylic acid

C6H4BrNO2

HCID715810

2-(Piperidin-4-yl)-1H-benzimidazole

C12H15N3

HCID12973440

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Br)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1

HCID58494556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-377aad47da9e476a9c1e63e1db534d81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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