Methanesulfonic Acid → HCID 178429672, compound

HRID 98933Notes

Reaction equation

HRID 98933 reaction equation
[CH3:52][S:53](=[O:54])(=[O:55])[OH:56].[CH3:57][C:58]([N:59]([CH3:60])[CH3:61])=[O:62].[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[S:13][CH2:14][C:15]([CH2:23][S:24][c:25]4[cH:26][c:27]([CH3:38])[n:28][c:29]5[n:30]4[n:31][c:32]([C:34]([NH:35][OH:36])=[O:37])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[O:39])[n:6]1.[NH2:40][O:41][CH2:42][c:43]1[n:44][cH:45][c:46]([OH:51])[c:47](=[O:50])[n:48]1[CH3:49]>>[NH2:1][c:2]1[s:3][cH:4][c:5]([C:7]([C:8](=[O:9])[NH:10][CH:11]2[CH:12]3[S:13][CH2:14][C:15]([CH2:23][S:24][c:25]4[cH:26][c:27]([CH3:38])[n:28][c:29]5[n:30]4[n:31][c:32]([C:34]([NH:35][OH:36])=[O:37])[n:33]5)=[C:16]([C:20](=[O:21])[OH:22])[N:17]3[C:18]2=[O:19])=[N:40][O:41][CH2:42][c:43]2[n:44][cH:45][c:46]([OH:51])[c:47](=[O:50])[n:48]2[CH3:49])[n:6]1

Participants

5

Reactant 4

HCID 6395Methanesulfonic AcidHCID 31374DimethylacetamideHCID 19917929HCID 19917929, compoundHCID 178429685HCID 178429685, compound

Product 1

HCID 178429672HCID 178429672, compound

Sources & evidence

ORD record
ord-def2e52a33784bbf801fcad0eb87ae8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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