HRID90707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8007

Butylamine

C4H11N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N(Cc1ccccc1)C1CN(S(=O)(=O)c2ccc(F)cc2)C1

HCID18767769

未命名化合物

PRODUCTS

生成物

结构：CCCCNc1ccc(S(=O)(=O)N2CC(N(Cc3ccccc3)C(=O)OC(C)(C)C)C2)cc1

HCID18767793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34e39e7ba1104b1c95c715ddcb29dfac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH:8]1[CH2:9][N:10]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[CH2:11]1)[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29].[C:35](=[O:36])([O-:37])[O-:38].[CH2:30]([CH2:31][CH2:32][CH3:33])[NH2:34].[K+:39].[K+:40].[OH2:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH:8]1[CH2:9][N:10]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([NH:34][CH2:30][CH2:31][CH2:32][CH3:33])[cH:19][cH:20]2)[CH2:11]1)[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:29]