Methanesulfonic Acid → Methanesulfonic Acid

HRID 670533Notes

Reaction equation

HRID 670533 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:46])[C:9]([CH2:12][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][c:35]4[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]4)[cH:42][cH:43][cH:44][cH:45]5)[CH2:26][CH2:27]3)[CH2:10][CH2:11]2)[cH:47][c:48]([O:52][CH3:53])[c:49]1[O:50][CH3:51].[CH3:54][S:55]([OH:56])(=[O:57])=[O:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:46])[C:9]([CH2:12][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][c:35]4[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]4)[cH:42][cH:43][cH:44][cH:45]5)[CH2:26][CH2:27]3)[CH2:10][CH2:11]2)[cH:47][c:48]([O:52][CH3:53])[c:49]1[O:50][CH3:51].[CH3:54][S:55](=[O:56])(=[O:57])[OH:58]

Participants

5

Reactant 3

HCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 9961922HCID 9961922, compound

Product 2

HCID 6395Methanesulfonic AcidHCID 9961922HCID 9961922, compound

Sources & evidence

ORD record
ord-e0f0f5dcb4a8436ba223aac73f65859c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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