Bicarbonate Ion → 3-Amino-6-(2,3-difluorophenyl)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one

HRID 312686Notes

Reaction equation

HRID 312686 reaction equation
[C:1]([O:2][C:3]([N:8]([C:4]([O:5][C:6]([CH3:7])([CH3:9])[CH3:10])=[O:11])[CH:16]1[C:17](=[O:37])[N:18]([CH2:31][c:32]2[s:33][cH:34][cH:35][n:36]2)[CH2:19][CH:20]([c:23]2[c:24]([F:30])[c:25]([F:29])[cH:26][cH:27][cH:28]2)[CH2:21][CH2:22]1)=[O:12])([CH3:13])([CH3:14])[CH3:15].[C:48](=[O:49])([OH:50])[O-:51].[Cl:45][CH2:46][Cl:47].[Na+:52].[OH:38][C:39]([C:40]([F:41])([F:42])[F:43])=[O:44]>>[NH2:8][CH:16]1[C:17](=[O:37])[N:18]([CH2:31][c:32]2[s:33][cH:34][cH:35][n:36]2)[CH2:19][CH:20]([c:23]2[c:24]([F:30])[c:25]([F:29])[cH:26][cH:27][cH:28]2)[CH2:21][CH2:22]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178454324HCID 178454324, compound

Product 1

HCID 222931933-Amino-6-(2,3-difluorophenyl)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one

Sources & evidence

ORD record
ord-58bacd6ea9cb4171aaf045dc32bbc716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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