HRID180020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6324

Ethane

C2H6

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

结构：NC(CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1

HCID69210273

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCS(=O)(=O)NC(CCN1CCC2(CC1)NC(=O)N(Cc1ccc(Br)cc1)C2=O)c1ccccc1

HCID178477719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-518c685f76474746894d020bf3c30caa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:43][CH3:44].[NH2:1][CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][C:8]2([C:9](=[O:22])[N:10]([CH2:14][c:15]3[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]3)[C:11](=[O:13])[NH:12]2)[CH2:23][CH2:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[S:38](=[O:39])(=[O:40])([Cl:41])[Cl:42]>>[ClH:41].[NH:1]([CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][C:8]2([C:9](=[O:22])[N:10]([CH2:14][c:15]3[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]3)[C:11](=[O:13])[NH:12]2)[CH2:23][CH2:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[S:38]([CH2:36][CH3:37])(=[O:39])=[O:40]