Pyridine → 4-(2-Chloro-7,7-dioxo-4,7-dihydro-1,7lambda6-dithia-4,6-diaza-inden-5-yl)-5-hydroxy-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-pyridazin-3-one

HRID 2330794Notes

Reaction equation

HRID 2330794 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([NH:11][C:12](=[O:13])[c:14]2[c:15](=[O:31])[n:16]([CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])[n:17][c:18](-[c:21]3[s:22][cH:23][cH:24][cH:25]3)[c:19]2[OH:20])[c:5]([S:7]([NH2:8])(=[O:9])=[O:10])[s:6]1.[N:32]12[CH2:33][CH2:34][CH2:35][N:36]=[C:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:6]1)[S:7](=[O:9])(=[O:10])[N:8]=[C:12]([c:14]1[c:15](=[O:31])[n:16]([CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])[n:17][c:18](-[c:21]3[s:22][cH:23][cH:24][cH:25]3)[c:19]1[OH:20])[NH:11]2

Participants

4

Reactant 3

HCID 1049PyridineHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 586938565-Hydroxy-2-(3-methyl-butyl)-3-oxo-6-thiophen-2-yl-2,3-dihydro-pyridazine-4-carboxylic acid (5-chloro-2-sulfamoyl-thiophen-3-yl)-amide

Product 1

HCID 1361485714-(2-Chloro-7,7-dioxo-4,7-dihydro-1,7lambda6-dithia-4,6-diaza-inden-5-yl)-5-hydroxy-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-pyridazin-3-one

Sources & evidence

ORD record
ord-5f04541819ae4d51a63bb8831ef7fba1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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