Methanol → Hydrochloric Acid

HRID 677237Notes

Reaction equation

HRID 677237 reaction equation
[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[cH:10][c:11]([CH:19]2[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]2)[c:12]2[cH:13][c:14]([OH:18])[cH:15][cH:16][c:17]12.[CH3:51][OH:52].[F:26][c:27]1[c:28]([S:34](=[O:35])(=[O:36])[Cl:37])[c:29]([F:33])[cH:30][cH:31][cH:32]1.[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[n:38]1[c:39]([CH3:40])[cH:41][cH:42][cH:43][c:44]1[CH3:45]>>[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[cH:10][c:11]([CH:19]2[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]2)[c:12]2[cH:13][c:14]([O:18][S:34]([c:28]3[c:27]([F:26])[cH:32][cH:31][cH:30][c:29]3[F:33])(=[O:35])=[O:36])[cH:15][cH:16][c:17]12.[ClH:37]

Participants

7

Reactant 5

HCID 887MethanolHCID 79372,6-LutidineHCID 8028TetrahydrofuranHCID 27342712,6-Difluorobenzenesulfonyl chlorideHCID 179801211-phenethyl-3-(1-methylpiperidin-4-yl)-5-hydroxy-1H-indole

Product 2

HCID 313Hydrochloric AcidHCID 10229330[3-(1-Methylpiperidin-4-yl)-1-(2-phenylethyl)indol-5-yl] 2,6-difluorobenzenesulfonate

Sources & evidence

ORD record
ord-af9212076eb04f0e9cfea03d1b87c7b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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