Bicarbonate Ion → 2-[[4-[(4-chloro-7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

HRID 666894Notes

Reaction equation

HRID 666894 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[CH3:66][OH:67].[Cl:23][C:24]1=[C:29]2[C:28](=[N:33][C:32](=[O:34])[CH2:31][O:30]2)[NH:27][C:26]([CH:35]=[O:36])=[N:25]1.[Cl:63][CH2:64][Cl:65].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]2[CH2:10][n:11]3[c:12](=[O:22])[cH:13][cH:14][c:15]4[cH:16][cH:17][c:18](=[O:21])[n:19]2[c:20]34)[CH2:6][CH2:7]1.[Na+:41].[Na+:42].[Na+:43].[Na+:62].[O-:44][S:45](=[O:46])(=[O:47])[O-:48]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]2[CH2:10][n:11]3[c:12](=[O:22])[cH:13][cH:14][c:15]4[cH:16][cH:17][c:18](=[O:21])[n:19]2[c:20]34)[CH2:6][CH2:7]1)[CH2:35][C:26]1=[N:25][C:24]([Cl:23])=[C:29]2[C:28](=[N:33][C:32](=[O:34])[CH2:31][O:30]2)[NH:27]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion4×HCID 1117Sulfate IonHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 580017221-[(4-Amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dioneHCID 1785199864-Chloro-7-oxo-6,7-dihydro-1H-pyrimido[5,4-b][1,4]oxazine-2-carbaldehyde

Product 1

HCID 1785168652-[[4-[(4-chloro-7-oxo-8H-pyrimido[5,4-b][1,4]oxazin-2-yl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

Sources & evidence

ORD record
ord-f1c8a00558014ceaa2c76b30ba778492
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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