Formaldehyde → 7-chloro-4-(4-chlorophenyl)-2-(hydroxymethyl)-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

HRID 697797Notes

Reaction equation

HRID 697797 reaction equation
[CH2:26]=[O:27].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[NH:7][c:8]1[c:9]([cH:11][nH:12][c:13](=[O:22])[c:14]1-[c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[S:10]2.[Na+:25].[OH-:24]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:23]1)[NH:7][c:8]1[c:9]([cH:11][n:12]([CH2:26][OH:24])[c:13](=[O:22])[c:14]1-[c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[S:10]2

Participants

6

Reactant 5

HCID 712FormaldehydeHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 204269017-chloro-4-(4-chlorophenyl)-5H-pyrido[3,4-b][1,4]-benzothiazin-3(2H)-one

Product 1

HCID 204269037-chloro-4-(4-chlorophenyl)-2-(hydroxymethyl)-5H-pyrido[3,4-b][1,4]benzothiazin-3(2H)-one

Sources & evidence

ORD record
ord-d879b5a0d5bf469dbdf5206f1d62c1d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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