HRID1220636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID11423

Benzenamine, 4-bromo-2-methyl-

C7H8BrN

结构：CCOC(=O)C1(CCC=O)CCN(C(=O)OC(C)(C)C)CC1

HCID58478452

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(CCCNc2ccc(Br)cc2C)CCN(C(=O)OC(C)(C)C)CC1

HCID58478421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-145f5e96b2b045dcba6fab566f4c25af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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