Diethyl Ether → Methanesulfonic Acid

HRID 320540Notes

Reaction equation

HRID 320540 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:13]3[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][cH:18]3)([CH2:23][CH2:24][N:25]3[CH2:26][CH2:27][CH:28]([NH:31][c:32]4[n:33][c:34]5[c:35]([n:36]4[CH2:37][CH2:38][O:39][CH2:40][CH3:41])[cH:42][cH:43][cH:44][cH:45]5)[CH2:29][CH2:30]3)[CH2:11][CH2:12]2)[cH:46][c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][S:60]([OH:61])(=[O:62])=[O:63].[CH3:64][CH2:65][O:66][CH2:67][CH3:68]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:13]3[cH:14][c:15]([O:21][CH3:22])[c:16]([O:19][CH3:20])[cH:17][cH:18]3)([CH2:23][CH2:24][N:25]3[CH2:26][CH2:27][CH:28]([NH:31][c:32]4[n:33][c:34]5[c:35]([n:36]4[CH2:37][CH2:38][O:39][CH2:40][CH3:41])[cH:42][cH:43][cH:44][cH:45]5)[CH2:29][CH2:30]3)[CH2:11][CH2:12]2)[cH:46][c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50].[CH3:59][S:60](=[O:61])(=[O:62])[OH:63]

Participants

6

Reactant 4

HCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 98965901-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dimethoxyphenyl)pyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 98965901-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dimethoxyphenyl)pyrrolidine

Sources & evidence

ORD record
ord-f83e8fcfa3d04651b4b3d8af5b09423e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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