HRID1556599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID69632

Bromoacetamide

C2H4BrNO

结构：CCCCCC1CNC(C(=O)NC(C(C)C)C2OC(SC)C(O)C(O)C2O)C1

HCID78040699

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1CC(C(=O)NC(C(C)C)C2OC(SC)C(O)C(O)C2O)N(CC(N)=O)C1

HCID11282925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12cdff78ab78416093c1bb802b2e233c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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