HRID1126747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID8481

4-(Acetylamino)benzenesulfonyl chloride

C8H8ClNO3S

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

反应SMILES：Cc1cc(N)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

HCID195716

ICI 222155

C9H12N2O4S

PRODUCTS

产物

反应SMILES：CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(S(=O)(=O)C[N+](=O)[O-])c(C)c2)cc1

HCID18676556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c6ab0cf54a9c4b1a9f303a5811bedbb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:9](=[O:10])(=[O:11])[Cl:12])[cH:13][cH:14]1.[CH3:15][c:16]1[cH:17][c:18]([NH2:19])[cH:20][c:21]([CH3:30])[c:22]1[S:23](=[O:24])(=[O:25])[CH2:26][N+:27](=[O:28])[O-:29].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Ca+2:31].[O-:32][C:33](=[O:34])[O-:35].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:36]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:9](=[O:10])(=[O:11])[NH:19][c:18]2[cH:17][c:16]([CH3:15])[c:22]([S:23](=[O:24])(=[O:25])[CH2:26][N+:27](=[O:28])[O-:29])[c:21]([CH3:30])[cH:20]2)[cH:13][cH:14]1