HRID303635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID12818

Benzenesulfonamide, p-bromo-N,N-dimethyl-

C8H10BrNO2S

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID178493175

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(CCc2nc3cc(-c4ccc(S(=O)(=O)N(C)C)cc4)cnc3[nH]2)c1

HCID178493164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a6d919e20924a79b43c9742a8483055
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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