Methanol → 6-[({1-[2-(6-Chloro-3-oxo-1,2,4-benzotriazin-4(3H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

HRID 1541267Notes

Reaction equation

HRID 1541267 reaction equation
[C:35]([O:36][BH3-:37])(=[O:38])[CH3:39].[CH3:41][OH:42].[Cl:43][CH2:44][Cl:45].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[n:12][n:13][c:14]3[c:15]2[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1.[Na+:40].[O:22]=[C:23]1[NH:24][c:25]2[c:26]([cH:29][cH:30][c:31]([CH:33]=[O:34])[n:32]2)[O:27][CH2:28]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:21])[n:12][n:13][c:14]3[c:15]2[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1)[CH2:33][c:31]1[cH:30][cH:29][c:26]2[c:25]([n:32]1)[NH:24][C:23](=[O:22])[CH2:28][O:27]2

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 12268230AcetoxyborohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 667742944-[2-(4-Aminopiperidin-1-yl)ethyl]-6-chloro-1,2,4-benzotriazin-3(4H)-one

Product 1

HCID 667746666-[({1-[2-(6-Chloro-3-oxo-1,2,4-benzotriazin-4(3H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Sources & evidence

ORD record
ord-521df015255546ae982d6bbfdf83feb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…