Methanol → Methanesulfonic Acid

HRID 157024Notes

Reaction equation

HRID 157024 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:14]3[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]3)([CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([NH:30][c:31]4[n:32][c:33]5[c:34]([n:35]4[CH2:36][c:37]4[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]4)[cH:44][cH:45][cH:46][cH:47]5)[CH2:28][CH2:29]3)[CH2:11][CH2:12][CH2:13]2)[cH:48][c:49]([O:53][CH3:54])[c:50]1[O:51][CH3:52].[CH3:55][S:56]([OH:57])(=[O:58])=[O:59].[CH3:60][OH:61].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:14]3[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]3)([CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([NH:30][c:31]4[n:32][c:33]5[c:34]([n:35]4[CH2:36][c:37]4[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]4)[cH:44][cH:45][cH:46][cH:47]5)[CH2:28][CH2:29]3)[CH2:11][CH2:12][CH2:13]2)[cH:48][c:49]([O:53][CH3:54])[c:50]1[O:51][CH3:52].[CH3:55][S:56](=[O:57])(=[O:58])[OH:59]

Participants

7

Reactant 5

HCID 887MethanolHCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 99623031-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dichlorophenyl)piperidine

Product 2

HCID 6395Methanesulfonic AcidHCID 99623031-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dichlorophenyl)piperidine

Sources & evidence

ORD record
ord-13ec811abd1148a480500aac7797dc6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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