Methanesulfonic Acid → Methanesulfonic Acid

HRID 2146072Notes

Reaction equation

HRID 2146072 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:47])[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][c:36]4[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]4)[cH:43][cH:44][cH:45][cH:46]5)[CH2:27][CH2:28]3)[CH2:10][CH2:11]2)[cH:48][c:49]([O:53][CH3:54])[c:50]1[O:51][CH3:52].[CH3:55][S:56]([OH:57])(=[O:58])=[O:59]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:47])[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][c:36]4[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]4)[cH:43][cH:44][cH:45][cH:46]5)[CH2:27][CH2:28]3)[CH2:10][CH2:11]2)[cH:48][c:49]([O:53][CH3:54])[c:50]1[O:51][CH3:52].[CH3:55][S:56](=[O:57])(=[O:58])[OH:59]

Participants

4

Reactant 2

HCID 6395Methanesulfonic AcidHCID 99184001-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 99184001-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine

Sources & evidence

ORD record
ord-39f5612dac204983ab8941f42b69c13d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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