Bicarbonate Ion → Ahr 5333

HRID 2325215Notes

Reaction equation

HRID 2325215 reaction equation
[C:23]([CH3:24])(=[O:25])[c:26]1[cH:27][c:28]([O:37][CH3:38])[c:29]([O:30][CH2:31][CH2:32][CH2:33][Cl:34])[cH:35][cH:36]1.[C:39](=[O:40])([OH:41])[O-:42].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1.[Na+:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][N:13]([CH2:33][CH2:32][CH2:31][O:30][c:29]3[c:28]([O:37][CH3:38])[cH:27][c:26]([C:23]([CH3:24])=[O:25])[cH:36][cH:35]3)[CH2:14][CH2:15]2)[c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 73142644-(3-Chloropropoxy)-3-methoxyacetophenoneHCID 11208889Bis(4-fluorophenyl)(piperidin-4-yl)methanol

Product 1

HCID 173727Ahr 5333

Sources & evidence

ORD record
ord-396fe16dd3aa4f40840510ced21052ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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