HRID702856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

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-b83e6d3ea5064011a1043a50a90e3da5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:54](=[O:55])([O-:56])[OH:57].[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][N:25]([CH3:26])[CH2:27][CH2:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH3:34].[CH3:36][C:37]1([c:43]2[cH:44][c:45]([NH:49][S:50](=[O:51])(=[O:52])[CH3:53])[cH:46][cH:47][cH:48]2)[CH:38]2[CH2:39][NH:40][CH2:41][CH:42]12.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:23].[ClH:35].[Na+:58].[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:40]2[CH2:39][CH:38]3[C:37]([CH3:36])([c:43]4[cH:44][c:45]([NH:49][S:50](=[O:51])(=[O:52])[CH3:53])[cH:46][cH:47][cH:48]4)[CH:42]3[CH2:41]2)[s:4][cH:5][cH:6]1