HRID2138969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8101

1-Bromohexane

C6H13Br

HCID8471

Triethylamine

C6H15N

结构：Cn1ncc2c1Nc1cc(Cl)ccc1N(C(=O)C1CCC(CN)CC1)C2

HCID135736043

未命名化合物

PRODUCTS

生成物

结构：CCCCCCNCC1CCC(C(=O)N2Cc3cnn(C)c3Nc3cc(Cl)ccc32)CC1

HCID136128444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80937c7a73fb44e9b3a94dbd0eec0c26
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:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[ClH:8].[NH2:9][CH2:10][CH:11]1[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[N:19]2[c:20]3[c:21]([cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[NH:22][c:23]3[n:24]([CH3:29])[n:25][cH:26][c:27]3[CH2:28]2)[CH2:15][CH2:16]1.[O:35]=[CH:36][N:37]([CH3:38])[CH3:39]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:9][CH2:10][CH:11]1[CH2:12][CH2:13][CH:14]([C:17](=[O:18])[N:19]2[c:20]3[c:21]([cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[NH:22][c:23]3[n:24]([CH3:29])[n:25][cH:26][c:27]3[CH2:28]2)[CH2:15][CH2:16]1