HRID1153081

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+

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID21873756

3-Oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl chloride

C8H6ClNO3S2

HCID58955135

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2nccc(N3CCC(SCCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1

HCID11713493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1632edfef4324153b9b8e6b7ed52126d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:45](=[O:46])([OH:47])[O-:48].[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.[CH3:53][OH:54].[CH:55]([Cl:56])([Cl:57])[Cl:58].[Cl:50][CH2:51][Cl:52].[ClH:1].[Na+:49].[O:30]=[C:31]1[CH2:32][S:33][c:34]2[c:35]([cH:37][c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]2)[NH:36]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][S:41]([c:38]4[cH:37][c:35]5[c:34]([cH:40][cH:39]4)[S:33][CH2:32][C:31](=[O:30])[NH:36]5)(=[O:42])=[O:43])[CH2:17][CH2:18]3)[cH:8][cH:9][n:10][c:11]2[cH:12][cH:13]1