Methanesulfonic Acid → Methanesulfonic Acid

HRID 1538574Notes

Reaction equation

HRID 1538574 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][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:11][CH2:12]2)[cH:43][c:44]([O:48][CH3:49])[c:45]1[O:46][CH3:47].[CH3:50][S:51]([OH:52])(=[O:53])=[O:54]>>[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][c:16]([F:19])[cH:17][cH:18]3)([CH2:20][CH2:21][N:22]3[CH2:23][CH2:24][CH:25]([NH:28][c:29]4[n:30][c:31]5[c:32]([n:33]4[CH2:34][CH2:35][O:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41][cH:42]5)[CH2:26][CH2:27]3)[CH2:11][CH2:12]2)[cH:43][c:44]([O:48][CH3:49])[c:45]1[O:46][CH3:47].[CH3:50][S:51](=[O:52])(=[O:53])[OH:54]

Participants

4

Reactant 2

HCID 6395Methanesulfonic AcidHCID 98100121-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(4-fluorophenyl)pyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 98100121-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(4-fluorophenyl)pyrrolidine

Sources & evidence

ORD record
ord-6051040017024ccea3af94dc2cf26c57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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