Ethanol → HCID 69915555, compound

HRID 143858Notes

Reaction equation

HRID 143858 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([C:41]([F:42])([F:43])[F:44])[c:16]([NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25]([CH2:29][CH2:30][c:31]4[cH:32][n:33][c:34]([NH:37][C:38](=[O:39])[CH3:40])[cH:35][cH:36]4)[cH:26][cH:27][cH:28]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:47](=[O:48])([OH:49])[O-:50].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][OH:60].[Na+:46].[Na+:51].[OH-:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([C:41]([F:42])([F:43])[F:44])[c:16]([NH:20][C:21](=[O:22])[c:23]3[cH:24][c:25]([CH2:29][CH2:30][c:31]4[cH:32][n:33][c:34]([NH2:37])[cH:35][cH:36]4)[cH:26][cH:27][cH:28]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 8857Ethyl AcetateHCID 69913598HCID 69913598, compound

Product 1

HCID 69915555HCID 69915555, compound

Sources & evidence

ORD record
ord-08f402dd836c4a96af350df21c98fbce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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