Acetate → Hydrochloric Acid

HRID 92141Notes

Reaction equation

HRID 92141 reaction equation
[CH3:36][C:37](=[O:38])[O-:39].[ClH:32].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]4[c:20]([O:28][CH3:29])[cH:21][c:22]([C:25]([CH3:26])=[O:27])[cH:23][cH:24]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:30][cH:31]1.[NH2:33][OH:34].[NH4+:35].[OH2:40]>>[ClH:32].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][O:18][c:19]4[c:20]([O:28][CH3:29])[cH:21][c:22]([C:25]([CH3:26])=[N:33][OH:34])[cH:23][cH:24]4)[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:30][cH:31]1

Participants

8

Reactant 6

HCID 175AcetateHCID 223AmmoniumHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 962WaterHCID 71360Iloperidone

Product 2

HCID 313Hydrochloric AcidHCID 738566991-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-methoxy-phenyl]ethanone Oxime

Sources & evidence

ORD record
ord-e4cbdb86030e45509f0e5198e4e4ce73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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