HRID183393

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+

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID21873787

3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxylic acid

C8H6N2O3S

HCID58955135

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nccc(N3CCC(SCCNC(=O)c4ccc5c(n4)NC(=O)CS5)C3)c2n1

HCID11518898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3097e7430ef4f258b28679809470658
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:50](=[O:51])([OH:52])[O-:53].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:2][O:3][c:4]1[n:5][c:6]2[c:7]([N:14]3[CH2:15][CH:16]([S:19][CH2:20][CH2:21][NH2:22])[CH2:17][CH2:18]3)[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1.[CH:58]([Cl:59])([Cl:60])[Cl:61].[Cl:30][C:31]([O:32][CH2:33][CH3:34])=[O:35].[Cl:55][CH2:56][Cl:57].[ClH:1].[Na+:54].[O:36]=[C:37]1[NH:38][c:39]2[c:40]([cH:43][cH:44][c:45]([C:47](=[O:48])[OH:49])[n:46]2)[S:41][CH2:42]1>>[CH3:2][O:3][c:4]1[n:5][c:6]2[c:7]([N:14]3[CH2:15][CH:16]([S:19][CH2:20][CH2:21][NH:22][C:47]([c:45]4[cH:44][cH:43][c:40]5[c:39]([n:46]4)[NH:38][C:37](=[O:36])[CH2:42][S:41]5)=[O:48])[CH2:17][CH2:18]3)[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1