Acetic Acid → 6-[({1-[2-(6-Chloro-1-oxido-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 1214152Notes

Reaction equation

HRID 1214152 reaction equation
[C:36]([O:37][BH3-:38])(=[O:39])[CH3:40].[CH3:42][OH:43].[CH3:47][C:48](=[O:49])[OH:50].[Cl:44][CH2:45][Cl:46].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[n:12][n+:13]([O-:21])[c:14]3[c:15]2[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1.[Na+:41].[O:23]=[C:24]1[NH:25][c:26]2[c:27]([cH:30][cH:31][c:32]([CH:34]=[O:35])[n:33]2)[O:28][CH2:29]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[n:12][n+:13]([O-:21])[c:14]3[c:15]2[cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[CH2:6][CH2:7]1)[CH2:34][c:32]1[cH:31][cH:30][c:27]2[c:26]([n:33]1)[NH:25][C:24](=[O:23])[CH2:29][O:28]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 12268230AcetoxyborohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 866426604-[2-(4-Aminopiperidin-1-yl)ethyl]-6-chloro-1,2,4-benzotriazin-3(4H)-one 1-oxide

Product 1

HCID 866426596-[({1-[2-(6-Chloro-1-oxido-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-616edcb5b2f94d88884a0fbde2207ece
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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