HRID303083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10774141

4-(bromomethyl)-5-methyl-1,3-dioxol-2-one

C5H5BrO3

结构：CCCC1CCNC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)CC1

HCID73096410

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCC(C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(Cc2oc(=O)oc2C)CC1

HCID72759109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be01a485f3f84c8b8985ed49a4838043
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

[Br:29][CH2:30][c:31]1[o:32][c:33](=[O:37])[o:34][c:35]1[CH3:36].[Cl: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][CH2:21][CH:22]([CH2:25][CH2:26][CH3:27])[CH2:23][CH2:24]1)[CH3:28].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl: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]([CH2:30][c:31]2[o:32][c:33](=[O:37])[o:34][c:35]2[CH3:36])[CH2:20][CH2:21][CH:22]([CH2:25][CH2:26][CH3:27])[CH2:23][CH2:24]1)[CH3:28]