Methanesulfonic Acid → HCID 18545869, compound

HRID 306261Notes

Reaction equation

HRID 306261 reaction equation
[C:42](=[O:43])([CH3:44])[NH:45][c:46]1[c:47]2[c:51]([cH:52][cH:53][cH:54]1)[CH:50]([CH2:55][OH:56])[CH2:49][CH2:48]2.[C:6]([NH:7][c:8]1[cH:9][c:10]2[c:11]([cH:12][cH:13]1)[CH:14]([CH2:15][OH:16])[CH2:17][CH2:18]2)(=[O:19])[CH3:20].[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:37][S:38]([OH:39])(=[O:40])=[O:41].[Cl:21][c:22]1[cH:23][c:24]2[c:25]([cH:32][c:33]1[N+:34]([O-:35])=[O:36])[CH2:26][CH2:27][CH:28]2[C:29]([OH:30])=[O:31]>>[NH2:45][c:46]1[c:47]2[c:51]([cH:52][cH:53][cH:54]1)[CH:50]([CH2:55][OH:56])[CH2:49][CH2:48]2

Participants

5

Reactant 4

HCID 6395Methanesulfonic Acid2×HCID 12318490HCID 12318490, compoundHCID 88115177HCID 88115177, compoundHCID 88115198HCID 88115198, compound

Product 1

HCID 18545869HCID 18545869, compound

Sources & evidence

ORD record
ord-e7ccbbf8161b476ea1dbbc3e7bdae69f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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