HRID306955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID15908

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

C8H17N3

HCID643373

2-methylnicotinic acid

C7H7NO2

HCID67166595

未命名化合物

PRODUCTS

生成物

结构：CCSc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1C

HCID11280944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0890e73613d44319437460e8a390fd7
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:41](=[O:42])([OH:43])[O-:44].[CH3:19][c:20]1[c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][cH:27][n:28]1.[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:52][OH:53].[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH2:18])[c:14]1[S:15][CH2:16][CH3:17].[ClH:29].[Na+:45].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[cH:6][cH:7][n:8][cH:9][c:10]3[nH:11][c:12]2[c:13]([NH:18][C:22]([c:21]2[c:20]([CH3:19])[n:28][cH:27][cH:26][cH:25]2)=[O:23])[c:14]1[S:15][CH2:16][CH3:17]