Sodium ion → 2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-2-methylpropanamide

HRID 110659Notes

Reaction equation

HRID 110659 reaction equation
[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:34])[n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([C:29]([C:30]#[N:31])([CH3:32])[CH3:33])[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[S:35]([OH:36])(=[O:37])(=[O:38])[OH:39]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:34])[n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[CH2:24][CH2:25][N:26]([C:29]([C:30]([NH2:31])=[O:36])([CH3:32])[CH3:33])[CH2:27][CH2:28]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

5

Reactant 4

HCID 923Sodium ion2×HCID 1118Sulfuric AcidHCID 19660Carbonate IonHCID 67050646HCID 67050646, compound

Product 1

HCID 582045302-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-2-methylpropanamide

Sources & evidence

ORD record
ord-efb65b7c474b47208d7e693c45b8ca58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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