Diethyl Ether → Methanesulfonic Acid

HRID 1151615Notes

Reaction equation

HRID 1151615 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]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]3)([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[CH3:35])[cH:36][cH:37][cH:38][cH:39]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:40][c:41]([O:45][CH3:46])[c:42]1[O:43][CH3:44].[CH3:47][S:48]([OH:49])(=[O:50])=[O:51].[CH3:56][CH2:57][O:58][CH2:59][CH3:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH:52]([OH:53])([CH3:54])[CH3:55]>>[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]([Cl:20])[c:16]([Cl:19])[cH:17][cH:18]3)([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[CH3:35])[cH:36][cH:37][cH:38][cH:39]5)[CH2:27][CH2:28]3)[CH2:11][CH2:12]2)[cH:40][c:41]([O:45][CH3:46])[c:42]1[O:43][CH3:44].[CH3:47][S:48](=[O:49])(=[O:50])[OH:51]

Participants

7

Reactant 5

HCID 3283Diethyl EtherHCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 9939601[3-(3,4-Dichlorophenyl)-3-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Product 2

HCID 6395Methanesulfonic AcidHCID 9939601[3-(3,4-Dichlorophenyl)-3-[2-[4-[(1-methylbenzimidazol-2-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Sources & evidence

ORD record
ord-53ccbab3e5df44f5990f2336922709d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…