Diethyl Ether → Methanesulfonic Acid

HRID 1563610

Reaction equation

HRID 1563610 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][cH:15][cH:16][cH:17][cH:18]3)([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([NH:27][c:28]4[n:29][c:30]5[c:31]([n:32]4[CH2:33][c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[cH:41][cH:42][cH:43][cH:44]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:45][c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[CH3:52][S:53]([OH:54])(=[O:55])=[O:56].[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67]>>[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][cH:15][cH:16][cH:17][cH:18]3)([CH2:19][CH2:20][N:21]3[CH2:22][CH2:23][CH:24]([NH:27][c:28]4[n:29][c:30]5[c:31]([n:32]4[CH2:33][c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[cH:41][cH:42][cH:43][cH:44]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:45][c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[CH3:52][S:53](=[O:54])(=[O:55])[OH:56]

Participants

6

Reactant 4

HCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 98748221-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 98748221-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-4b7e19c73ee24dba808c11d8b493997c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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