Ethanol → HCID 77567169, compound

HRID 2158926Notes

Reaction equation

HRID 2158926 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][P:9](=[O:10])([OH:11])[O:12][CH2:13][CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[n:19]1[cH:20][c:21]([C:51](=[O:52])[O:53][CH2:54][CH3:55])[c:22](=[O:50])[c:23]2[cH:24][c:25](-[c:29]3[cH:30][n:31][c:32]([NH:44][C:45]([NH:46][CH2:47][CH3:48])=[O:49])[cH:33][c:34]3-[c:35]3[s:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[n:39]3)[cH:26][n:27][c:28]12.[CH3:58][CH2:59][OH:60].[K+:57].[OH-:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][P:9](=[O:10])([OH:11])[O:12][CH2:13][CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[n:19]1[cH:20][c:21]([C:51](=[O:52])[OH:53])[c:22](=[O:50])[c:23]2[cH:24][c:25](-[c:29]3[cH:30][n:31][c:32]([NH:44][C:45]([NH:46][CH2:47][CH3:48])=[O:49])[cH:33][c:34]3-[c:35]3[s:36][cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[n:39]3)[cH:26][n:27][c:28]12

Participants

5

Reactant 4

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 77548210HCID 77548210, compound

Product 1

HCID 77567169HCID 77567169, compound

Sources & evidence

ORD record
ord-d14dbf60eb6149768597444e05e1e1fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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