HRID289427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4033

Nitrogen mustard

C5H11Cl2N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID178508056

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2c[nH]nc2C(=O)Nc2ccc(F)cc2)CC1

HCID178480776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dd428a8c0ed486cafa846a69065278e
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

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