Bicarbonate Ion → HCID 178430720, compound

HRID 702205Notes

Reaction equation

HRID 702205 reaction equation
[C:53](=[O:54])([OH:55])[O-:56].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:15][CH2:16][C:17](=[O:18])[N:19]2[CH:20]([CH3:34])[CH2:21][N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH:23]([CH3:25])[CH2:24]2)[c:6]([CH:8]([CH2:9][CH2:10][C:11](=[O:12])[OH:13])[OH:14])[cH:7]1.[Na+:57].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:15][CH2:16][C:17](=[O:18])[N:19]2[CH:20]([CH3:34])[CH2:21][N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH:23]([CH3:25])[CH2:24]2)[c:6]([CH:8]2[CH2:9][CH2:10][C:11](=[O:12])[O:14]2)[cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 99831504-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-4-hydroxybutanoic acid

Product 1

HCID 178430720HCID 178430720, compound

Sources & evidence

ORD record
ord-f92ec3794d2e4d6788b1b9d5e7adeaa8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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