Ethanol → HCID 70160513, compound

HRID 120868Notes

Reaction equation

HRID 120868 reaction equation
[CH3:45][CH2:46][OH:47].[F:1][C:2]1([F:42])[CH2:3][CH2:4][N:5]([C:28](=[O:29])[c:30]2[c:31]([CH3:41])[n:32][c:33](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[s:34]2)[c:6]2[c:7]([cH:24][cH:25][cH:26][cH:27]2)[C:8]1=[CH:9][C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]([CH2:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:16][CH2:17]1.[Na+:44].[OH-:43]>>[F:1][C:2]1([F:42])[CH2:3][CH2:4][N:5]([C:28](=[O:29])[c:30]2[c:31]([CH3:41])[n:32][c:33](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[s:34]2)[c:6]2[c:7]([cH:24][cH:25][cH:26][cH:27]2)[C:8]1=[CH:9][C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]([CH2:18][C:19](=[O:20])[OH:21])[CH2:16][CH2:17]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 178470712HCID 178470712, compound

Product 1

HCID 70160513HCID 70160513, compound

Sources & evidence

ORD record
ord-1299da261a6a445db29e4b907fbcada9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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