HRID155043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID31275

1,4-Dioxane

C4H8O2

HCID4574913

未命名化合物

结构：COC(=O)CCC(CC=Cc1cccnc1)CCCCNS(=O)(=O)c1ccc(Cl)cc1

HCID54073742

未命名化合物

PRODUCTS

生成物

HCID813

Potassium cation

K+

结构：O=C([O-])CCC(CC=Cc1cccnc1)CCCCNS(=O)(=O)c1ccc(Cl)cc1

HCID178525402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c6cf6739f3f41cdb1613886ce9ca0cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:47]([OH:48])([CH3:49])([CH3:50])[CH3:51].[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([CH2:17][CH2:18][C:19](=[O:20])[O:21][CH3:22])[CH2:23][CH:24]=[CH:25][c:26]2[cH:27][n:28][cH:29][cH:30][cH:31]2)[cH:6][cH:7]1.[ClH:32].[K+:38].[Na+:46].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([CH2:17][CH2:18][C:19](=[O:20])[O-:21])[CH2:23][CH:24]=[CH:25][c:26]2[cH:27][n:28][cH:29][cH:30][cH:31]2)[cH:6][cH:7]1.[K+:38]