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

HRID 2339976Notes

Reaction equation

HRID 2339976 reaction equation
[C:32]([O-:33])(=[O:34])[O-:35].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][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][N:25]([C:27]([C:28]#[N:29])([CH3:30])[CH3:31])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Na+:36].[Na+:37].[OH2:38].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][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][N:25]([C:27]([C:28]([NH2:29])=[O:33])([CH3:30])[CH3:31])[CH2:26]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 962WaterHCID 1118Sulfuric AcidHCID 19660Carbonate IonHCID 582046722-{3-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-azetidin-1-yl}-2-methyl-propionitrile

Product 1

HCID 582043262-(3-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)azetidin-1-yl)-2-methylpropanamide

Sources & evidence

ORD record
ord-f7359e8e929540138ded62d35e5a9075
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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