HRID2126447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID76583

3-Bromobenzaldehyde

C7H5BrO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C1N=C([NH2+]C2CCCCC2)C2(CC[NH2+]CC2)N1c1cccc(F)c1

HCID58949707

未命名化合物

PRODUCTS

生成物

结构：O=C1N=C(NC2CCCCC2)C2(CCN(Cc3cccc(Br)c3)CC2)N1c1cccc(F)c1

HCID178517967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ffe989a9f684a67ab521072c3dd64ae
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

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