Ethanol → HCID 178467538, compound

HRID 85897Notes

Reaction equation

HRID 85897 reaction equation
[CH2:55]([OH:56])[CH3:57].[CH3:58][OH:59].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[N+:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:10][CH2:11][CH:12]2[CH2:13][O:14][CH:15]([O:34][CH:35]([CH3:36])[c:37]3[cH:38][c:39]([C:47]([F:48])([F:49])[F:50])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]3)[CH:16]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH:17]2[CH2:18][O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:8][cH:9]1)([O-:51])=[O:52].[Na+:54].[OH-:53]>>[OH:10][CH2:11][CH:12]1[CH2:13][O:14][CH:15]([O:34][CH:35]([CH3:36])[c:37]2[cH:38][c:39]([C:47]([F:48])([F:49])[F:50])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]2)[CH:16]([c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[CH:17]1[CH2:18][O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

7

Reactant 6

HCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 178467539HCID 178467539, compound

Product 1

HCID 178467538HCID 178467538, compound

Sources & evidence

ORD record
ord-4b433612e1e342fbbd02cec10dc27546
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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