HRID114484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID135955

2-(2-Phenylethyl)oxirane

C10H12O

HCID3280088

未命名化合物

HCID136092380

未命名化合物

PRODUCTS

生成物

结构：O=c1c(Br)c(-c2ccncc2)nc2n1CCCN2CC(O)CCc1ccccc1

HCID59796509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f754e66307194027b6fe4935abc6a758
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:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][n:16][cH:17][cH:18]2)[n:4][c:5]2[n:6]([c:7]1=[O:8])[CH2:9][CH2:10][CH2:11][NH:12]2.[CH2:19]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH:27]1[O:28][CH2:29]1.[CH3:31][Si:32]([N-:33][Si:34]([CH3:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl-:40].[Li+:30].[NH4+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[Br:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][n:16][cH:17][cH:18]2)[n:4][c:5]2[n:6]([c:7]1=[O:8])[CH2:9][CH2:10][CH2:11][N:12]2[CH2:29][CH:27]([CH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[OH:28]