HRID106604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

3 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID12684258

5-Bromopyridine-3-sulfonamide

C5H5BrN2O2S

结构：CC(C)(C)OC(=O)NCCN1CCN(c2cnc3ccc(Br)cc3n2)CC1

HCID86625000

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCN1CCN(c2cnc3ccc(-c4cncc(S(N)(=O)=O)c4)cc3n2)CC1

HCID25117648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9c1adee63a74fee8f64558d5fcf8c30
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6][cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:16][CH2:17]3)[n:9][c:10]2[cH:11]1.[Br:33][c:34]1[cH:35][c:36]([S:40](=[O:41])(=[O:42])[NH2:43])[cH:37][n:38][cH:39]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH3:29][C:30](=[O:31])[O-:32].[K+:28].[K+:48].[K+:49]>>[c:2]1(-[c:34]2[cH:35][c:36]([S:40](=[O:41])(=[O:42])[NH2:43])[cH:37][n:38][cH:39]2)[cH:3][cH:4][c:5]2[n:6][cH:7][c:8]([N:12]3[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:16][CH2:17]3)[n:9][c:10]2[cH:11]1