Bicarbonate Ion → 4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinecarbaldehyde

HRID 287433Notes

Reaction equation

HRID 287433 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH:10]1[N:11]([c:24]2[cH:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])([CH3:35])[OH:36])[cH:28][cH:29]2)[CH2:12][CH2:13][N:14]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][cH:21][cH:22][cH:23]2)[CH2:15]1.[Cl:42][CH2:43][Cl:44].[Na+:41]>>[O:8]=[CH:9][CH:10]1[N:11]([c:24]2[cH:25][cH:26][c:27]([C:30]([C:31]([F:32])([F:33])[F:34])([CH3:35])[OH:36])[cH:28][cH:29]2)[CH2:12][CH2:13][N:14]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][cH:21][cH:22][cH:23]2)[CH2:15]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 665825752-(4-(2-((Benzyloxy)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol

Product 1

HCID 866703254-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinecarbaldehyde

Sources & evidence

ORD record
ord-f1ee5e2a78254673a37637e983e7e187
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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