Methanesulfonic Acid → Methanesulfonic Acid

HRID 1135853Notes

Reaction equation

HRID 1135853 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:14]3[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]3)([CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([NH:30][c:31]4[n:32][c:33]5[c:34]([n:35]4[CH2:36][CH2:37][O:38][CH2:39][CH3:40])[cH:41][cH:42][cH:43][cH:44]5)[CH2:28][CH2:29]3)[CH2:11][CH2:12][CH2:13]2)[cH:45][c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[CH3:52][S:53]([OH:54])(=[O:55])=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([c:14]3[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]3)([CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([NH:30][c:31]4[n:32][c:33]5[c:34]([n:35]4[CH2:36][CH2:37][O:38][CH2:39][CH3:40])[cH:41][cH:42][cH:43][cH:44]5)[CH2:28][CH2:29]3)[CH2:11][CH2:12][CH2:13]2)[cH:45][c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[CH3:52][S:53](=[O:54])(=[O:55])[OH:56]

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 98752681-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dichlorophenyl)piperidine

Product 2

HCID 6395Methanesulfonic AcidHCID 98752681-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(3,4-dichlorophenyl)piperidine

Sources & evidence

ORD record
ord-3e6d466a0c7847f5894419eb4f8e5c4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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