Bicarbonate Ion → HCID 91127540, compound

HRID 1239820Notes

Reaction equation

HRID 1239820 reaction equation
[C:47](=[O:48])([O-:49])[OH:50].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[c:18]1[cH:19][c:20]([CH:37]=[CH:38][CH3:39])[c:21]([N:24]2[CH2:25][CH2:26][N:27]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:28][CH2:29]2)[cH:22][cH:23]1.[Cl:52][CH2:53][Cl:54].[Na+:51].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[c:18]1[cH:19][c:20]([CH:37]=[CH:38][CH3:39])[c:21]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:22][cH:23]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 87073722Tert-butyl 4-[4-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)-2-prop-1-enylphenyl]piperazine-1-carboxylate

Product 1

HCID 91127540HCID 91127540, compound

Sources & evidence

ORD record
ord-dfa8c11f6a8e47b1a4c8da4e0b25ab31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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