Bicarbonate Ion → Ethyl 2-(6-aminochroman-2-yl)acetate

HRID 100865Notes

Reaction equation

HRID 100865 reaction equation
[C:39](=[O:40])([OH:41])[O-:42].[C:8]([O:9][C:10](=[O:11])[NH:15][c:16]1[cH:17][c:18]2[c:23]([cH:24][cH:25]1)[O:22][CH:21]([CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:20][CH2:19]2)([CH3:12])([CH3:13])[CH3:14].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Na+:43].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[NH2:15][c:16]1[cH:17][c:18]2[c:23]([cH:24][cH:25]1)[O:22][CH:21]([CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:20][CH2:19]2

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140Toluene2×HCID 6422Trifluoroacetic acidHCID 10854265HCID 10854265, compound

Product 1

HCID 9860276Ethyl 2-(6-aminochroman-2-yl)acetate

Sources & evidence

ORD record
ord-fd08220efed144d592dcddd3ab8ff711
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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