Acetonitrile → Alosetron

HRID 1217666Notes

Reaction equation

HRID 1217666 reaction equation
[CH3:1][N:2]([CH3:3])[S:4](=[O:5])([n:6]1[cH:7][n:8][c:9]([CH2:12][N:13]2[C:14](=[O:27])[c:15]3[c:16]([n:17]([CH3:24])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:25][CH2:26]2)[c:10]1[CH3:11])=[O:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:42][C:43]#[N:44].[Hg:45].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[nH:6]1[cH:7][n:8][c:9]([CH2:12][N:13]2[C:14](=[O:27])[c:15]3[c:16]([n:17]([CH3:24])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[CH2:25][CH2:26]2)[c:10]1[CH3:11]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 23931MercuryHCID 312751,4-DioxaneHCID 15616320N,N,5-Trimethyl-4-[(2,3,4,5-tetrahydro-5-methyl-1-oxo-1H-pyrido[4,3-b]indol-2-yl)methyl]-1H-imidazole-1-sulphonamide

Product 1

HCID 2099Alosetron

Sources & evidence

ORD record
ord-018386a202ef4905ac5adea4270a5c1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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