Acetic Acid → N-[[4-(5-aminothiophen-2-yl)sulfonyl-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperazin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide

HRID 284706Notes

Reaction equation

HRID 284706 reaction equation
[CH3:50][C:51](=[O:52])[OH:53].[Fe:49].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:34][N:35]([S:36](=[O:37])(=[O:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43])[N:15]([c:18]3[n:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[OH:33])[cH:22][n:23]3)[CH2:16][CH2:17]2)[s:8]1.[Na+:48].[O-:44][C:45]([OH:46])=[O:47]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:34][N:35]([S:36](=[O:37])(=[O:38])[CH3:39])[CH2:40][CH:41]([CH3:42])[CH3:43])[N:15]([c:18]3[n:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[OH:33])[cH:22][n:23]3)[CH2:16][CH2:17]2)[s:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 23925IronHCID 178448997HCID 178448997, compound

Product 1

HCID 123194474N-[[4-(5-aminothiophen-2-yl)sulfonyl-1-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]piperazin-2-yl]methyl]-N-(2-methylpropyl)methanesulfonamide

Sources & evidence

ORD record
ord-ff18bdde43fa4581b1411bc8bc02959f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…