Methanesulfonic Acid → Methanesulfonic Acid

HRID 1544295Notes

Reaction equation

HRID 1544295 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][CH2:34][O:35][CH2:36][CH3:37])[cH:38][cH:39][cH:40][cH:41]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:42][c:43]([O:47][CH3:48])[c:44]1[O:45][CH3:46].[CH3:49][S:50]([OH:51])(=[O:52])=[O:53]>>[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][CH2:34][O:35][CH2:36][CH3:37])[cH:38][cH:39][cH:40][cH:41]5)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[cH:42][c:43]([O:47][CH3:48])[c:44]1[O:45][CH3:46].[CH3:49][S:50](=[O:51])(=[O:52])[OH:53]

Participants

4

Reactant 2

HCID 6395Methanesulfonic AcidHCID 98097941-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Product 2

HCID 6395Methanesulfonic AcidHCID 98097941-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine

Sources & evidence

ORD record
ord-caeaa1fd130d4ec3a33c69400b17c828
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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