HRID198689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID16495114

3-(3-Methylthiophen-2-yl)propanoic acid

C8H10O2S

HCID22141143

N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

C13H18N2O2S

PRODUCTS

生成物

结构：Cc1ccsc1CCC(=O)N1CC2C(C1)C2(C)c1cccc(NS(C)(=O)=O)c1

HCID22141226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c34ce9f2f13e41748e104a092cb11067
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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