Hydrogen Bromide → Lurosetron

HRID 1117612Notes

Reaction equation

HRID 1117612 reaction equation
[BrH:56].[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]([CH:24]([O:25][CH3:26])[CH3:27])[c:22]1[CH3:23])[C:15]3=[O:16].[F:28][c:29]1[c:30]2[n:31]([CH3:32])[c:33]3[c:49]([c:50]2[cH:51][cH:52][cH:53]1)[C:47](=[O:48])[N:36]([CH2:37][c:38]1[n:39]([CH2:40][O:41][CH3:42])[cH:43][n:44][c:45]1[CH3:46])[CH2:35][CH2:34]3.[Na+:55].[OH-:54]>>[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

6

Reactant 5

HCID 260Hydrogen BromideHCID 923Sodium ionHCID 961HydroxideHCID 197992486-fluoro-2,3,4,5-tetrahydro-2-[[1-(methoxymethyl)-4-methyl-1H-imidazol-5-yl]methyl]-5-methyl-1H-pyrido[4,3-b]indol-1-oneHCID 678604076-Fluoro-2-[[1-(1-methoxyethyl)-5-methylimidazol-4-yl]methyl]-5-methyl-3,4-dihydropyrido[4,3-b]indol-1-one

Product 1

HCID 172999Lurosetron

Sources & evidence

ORD record
ord-4cf8a6da05764807b52e5de22515be85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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