Acetic Acid → 4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide

HRID 663092Notes

Reaction equation

HRID 663092 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:53](=[O:54])([O-:55])[OH:56].[CH2:33]=[O:34].[CH3:49][C:50](=[O:51])[OH:52].[CH3:61][OH:62].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:32]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([C:22]2=[C:23]([C:29](=[O:30])[NH2:31])[CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]2)[cH:21]1.[Cl:58][CH2:59][Cl:60].[Na+:48].[Na+:57]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:32]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20]([C:22]2=[CH:27][CH2:26][N:25]([CH3:28])[CH2:24][CH:23]2[C:29](=[O:30])[NH2:31])[cH:21]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 582043564-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1-methyl-1,2,5,6-tetrahydropyridine-3-carboxamide

Product 1

HCID 582044844-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1-methyl-1,2,3,6-tetrahydropyridine-3-carboxamide

Sources & evidence

ORD record
ord-3a36321f22c94fdf891821e270443868
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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