Diethyl Ether → Methanesulfonic Acid

HRID 173978Notes

Reaction equation

HRID 173978 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:44])[C:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31][c:32]5[c:33]([n:34]4[CH2:35][CH2:36][O:37][CH2:38][CH3:39])[cH:40][cH:41][cH:42][cH:43]5)[CH2:27][CH2:28]3)[CH2:10][CH2:11]2)[cH:45][c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][S:59]([OH:60])(=[O:61])=[O:62].[CH3:63][CH2:64][O:65][CH2:66][CH3:67]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:44])[C:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][CH:26]([NH:29][c:30]4[n:31][c:32]5[c:33]([n:34]4[CH2:35][CH2:36][O:37][CH2:38][CH3:39])[cH:40][cH:41][cH:42][cH:43]5)[CH2:27][CH2:28]3)[CH2:10][CH2:11]2)[cH:45][c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[CH3:58][S:59](=[O:60])(=[O:61])[OH:62]

Participants

6

Reactant 4

HCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 99181341-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 99181341-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

Sources & evidence

ORD record
ord-48c8bf62431c4eb5b5aa2c1d8f471351
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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