HRID315697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID3756385

4-Fluoro-2-isopropoxyaniline

C9H12FNO

结构：Cc1c(S(=O)(=O)NCCCN(C)C)sc2ncnc(Cl)c12

HCID86665668

未命名化合物

PRODUCTS

生成物

结构：Cc1c(S(=O)(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12

HCID46182300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-846197ec5b4145d9a6f97a96a1563177
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

[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[Cl:14][c:15]1[c:16]2[c:17]([n:18][cH:19][n:20]1)[s:21][c:22]([S:25](=[O:26])(=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[c:23]2[CH3:24].[ClH:13].[F:1][c:2]1[cH:3][c:4]([O:9][CH:10]([CH3:11])[CH3:12])[c:5]([NH2:6])[cH:7][cH:8]1.[NH4+:36].[OH-:35].[OH2:37].[OH2:44]>>[F:1][c:2]1[cH:3][c:4]([O:9][CH:10]([CH3:11])[CH3:12])[c:5]([NH:6][c:15]2[c:16]3[c:17]([n:18][cH:19][n:20]2)[s:21][c:22]([S:25](=[O:26])(=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][N:32]([CH3:33])[CH3:34])[c:23]3[CH3:24])[cH:7][cH:8]1