Pyridine → 7-chloro-4-(4-chlorophenyl)-2-[(2,3-dimethyl-1-oxobutoxy)methyl]-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

HRID 2327583Notes

Reaction equation

HRID 2327583 reaction equation
[CH2:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH3:1][CH:2]([CH3:3])[CH:4]([CH3:5])[C:6]([OH:7])=[O:8].[Cl:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:43]1)[NH:25][c:26]1[c:27]([cH:29][n:30]([CH2:41][OH:42])[c:31](=[O:40])[c:32]1-[c:33]1[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]1)[S:28]2.[S:9]([Cl:10])([Cl:11])=[O:12].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[CH3:1][CH:2]([CH3:3])[CH:4]([CH3:5])[C:6](=[O:7])[O:8][CH2:41][n:30]1[cH:29][c:27]2[c:26]([c:32](-[c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[c:31]1=[O:40])[NH:25][c:24]1[c:23]([cH:22][cH:21][c:20]([Cl:19])[cH:43]1)[S:28]2

Participants

6

Reactant 5

HCID 1049PyridineHCID 8078CyclohexaneHCID 24386Thionyl ChlorideHCID 266082,3-Dimethylbutanoic acidHCID 204269037-chloro-4-(4-chlorophenyl)-2-(hydroxymethyl)-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

Product 1

HCID 204268997-chloro-4-(4-chlorophenyl)-2-[(2,3-dimethyl-1-oxobutoxy)methyl]-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

Sources & evidence

ORD record
ord-b360bf219617453e876e3ed541a25f77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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