Hydrochloric Acid → Lurosetron

HRID 316724Notes

Reaction equation

HRID 316724 reaction equation
[CH3:37][CH2:38][OH:39].[ClH:40].[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([n:9]([CH3:11])[c:10]12)[CH2:12][CH2:13][N:14]([CH2:17][c:18]1[n:19][cH:20][n:21]([C:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[c:22]1[CH3:23])[C:15]3=[O:16].[Na+:36].[OH-:35].[OH2:34]>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([n:9]([CH3:11])[c:10]12)[CH2:12][CH2:13][N:14]([CH2:17][c:18]1[n:19][cH:20][nH:21][c:22]1[CH3:23])[C:15]3=[O:16]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 15712526Phenylmethyl 4-[(6-fluoro-2,3,4,5-tetrahydro-5-methyl-1-oxo-1H-pyrido [4,3-b]indol-2-yl)methyl]-5-methyl-1H-imidazole-1-carboxylate

Product 1

HCID 172999Lurosetron

Sources & evidence

ORD record
ord-3022aa9d4a8e4a6f8b08a25f9ea8af0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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