Ethanol → HCID 68746318, compound

HRID 296739Notes

Reaction equation

HRID 296739 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][P:9](=[O:10])([O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][CH2:20][CH2:21][n:22]1[cH:23][c:24]([C:54](=[O:55])[O:56][CH2:57][CH3:58])[c:25](=[O:53])[c:26]2[cH:27][c:28](-[c:32]3[cH:33][n:34][c:35]([NH:47][C:48]([NH:49][CH2:50][CH3:51])=[O:52])[cH:36][c:37]3-[c:38]3[s:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[n:42]3)[cH:29][n:30][c:31]12.[CH3:59][CH2:60][OH:61].[K+:63].[OH-:62]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][P:9](=[O:10])([O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][CH2:20][CH2:21][n:22]1[cH:23][c:24]([C:54](=[O:55])[OH:56])[c:25](=[O:53])[c:26]2[cH:27][c:28](-[c:32]3[cH:33][n:34][c:35]([NH:47][C:48]([NH:49][CH2:50][CH3:51])=[O:52])[cH:36][c:37]3-[c:38]3[s:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[n:42]3)[cH:29][n:30][c:31]12

Participants

5

Reactant 4

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 68749280HCID 68749280, compound

Product 1

HCID 68746318HCID 68746318, compound

Sources & evidence

ORD record
ord-1eaaeb7de10143e6967fee2858de6bd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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