Bicarbonate Ion → HCID 66839485, compound

HRID 2334145Notes

Reaction equation

HRID 2334145 reaction equation
[C:46](=[O:47])([OH:48])[O-:49].[CH2:57]([Cl:58])[Cl:59].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:8][O:9][c:10]1[cH:11][c:12]([CH:22]=[CH:23][c:24]2[n:25][n:26]3[c:27]([n:45]2)[CH:28]([CH:32]2[CH2:33][CH2:34][N:35]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:36][CH2:37]2)[CH2:29][CH2:30][CH2:31]3)[cH:13][cH:14][c:15]1-[n:16]1[cH:17][n:18][c:19]([CH3:21])[cH:20]1.[Na+:50].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH3:8][O:9][c:10]1[cH:11][c:12]([CH:22]=[CH:23][c:24]2[n:25][n:26]3[c:27]([n:45]2)[CH:28]([CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[CH2:29][CH2:30][CH2:31]3)[cH:13][cH:14][c:15]1-[n:16]1[cH:17][n:18][c:19]([CH3:21])[cH:20]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 66839458HCID 66839458, compound

Product 1

HCID 66839485HCID 66839485, compound

Sources & evidence

ORD record
ord-6a8ed2fc47ec4e22afbe3d9fe7f10609
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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