HCID 4407465, compound → HCID 21100246, compound

HRID 117101Notes

Reaction equation

HRID 117101 reaction equation
[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1.[N+:18](=[O:19])([O-:20])[c:21]1[cH:22][n:23][c:24]([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[s:25]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[N:29]2[CH2:28][CH2:27][N:26]([c:24]3[n:23][cH:22][c:21]([N+:18](=[O:19])[O-:20])[s:25]3)[CH2:31][CH2:30]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1

Participants

3

Reactant 2

HCID 4407465HCID 4407465, compoundHCID 211002372-Isopropoxy-5-methylsulfonylbenzoic acid

Product 1

HCID 21100246HCID 21100246, compound

Sources & evidence

ORD record
ord-c48859b1247649609888ce31974ef1eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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