HRID134462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID19660

Carbonate

CO3-2

结构：O=C(c1ccc(CCl)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

HCID11059046

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)C(C)C

HCID10951109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34a1feb7e1db47ceacfe138fdfa1d30a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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