Methanesulfonic Acid → Methanesulfonic Acid

HRID 1119186Notes

Reaction equation

HRID 1119186 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]([nH:32]4)[cH:33][cH:34][cH:35][cH:36]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:37][c:38]([O:42][CH3:43])[c:39]1[O:40][CH3:41].[CH3:44][S:45]([OH:46])(=[O:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54]>>[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][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[nH:29][c:30]5[c:31]([n:32]4)[cH:33][cH:34][cH:35][cH:36]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:37][c:38]([O:42][CH3:43])[c:39]1[O:40][CH3:41].[CH3:44][S:45](=[O:46])(=[O:47])[OH:48]

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 99382691-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 99382691-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-3ce6c60196bd4b889b2a113b5beeb488
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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