Hydrogen Bromide → 3,4-dihydro-8-methyl-7-[2-[4-(7-methyl-1,2-benzisoxazol-3-yl)-1-piperazinyl]ethyl]-2H,6H-pyrimido[2,1-b][1,3]-thiazin-6-one

HRID 284146Notes

Reaction equation

HRID 284146 reaction equation
[Br:2][CH2:3][CH2:4][c:5]1[c:6]([CH3:16])[n:7][c:8]2[n:13]([c:14]1=[O:15])[CH2:12][CH2:11][CH2:10][S:9]2.[BrH:1].[CH3:17][c:18]1[cH:19][cH:20][cH:21][c:22]2[c:23]([N:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:24][o:25][c:26]12.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:44]>>[CH2:3]([CH2:4][c:5]1[c:6]([CH3:16])[n:7][c:8]2[n:13]([c:14]1=[O:15])[CH2:12][CH2:11][CH2:10][S:9]2)[N:30]1[CH2:29][CH2:28][N:27]([c:23]2[c:22]3[cH:21][cH:20][cH:19][c:18]([CH3:17])[c:26]3[o:25][n:24]2)[CH2:32][CH2:31]1

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 150574497-Methyl-3-(1-piperazinyl)-1,2-benzisoxazoleHCID 155864657-(2-bromoethyl)-3,4-dihydro-8-methyl-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one

Product 1

HCID 151705153,4-dihydro-8-methyl-7-[2-[4-(7-methyl-1,2-benzisoxazol-3-yl)-1-piperazinyl]ethyl]-2H,6H-pyrimido[2,1-b][1,3]-thiazin-6-one

Sources & evidence

ORD record
ord-0186a3e058e64b9d9214da1ee8301049
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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