Ethanol → HCID 44556233, compound

HRID 113885Notes

Reaction equation

HRID 113885 reaction equation
[CH3:48][CH2:49][OH:50].[F:1][C:2]([F:3])([F:4])[C:44]([NH:5][C:6]1([c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][c:21]4[cH:22][cH:23][n:24]5[c:25]([c:26]4[cH:27][c:28]3-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:35][n:36][c:37]5-[c:38]3[n:39][cH:40][cH:41][cH:42][n:43]3)[cH:17][cH:18]2)[CH2:7][C:8]([CH2:10][OH:11])([OH:12])[CH2:9]1)=[O:45].[Na+:47].[OH-:46]>>[NH2:5][C:6]1([c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][c:21]4[cH:22][cH:23][n:24]5[c:25]([c:26]4[cH:27][c:28]3-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:35][n:36][c:37]5-[c:38]3[n:39][cH:40][cH:41][cH:42][n:43]3)[cH:17][cH:18]2)[CH2:7][C:8]([CH2:10][OH:11])([OH:12])[CH2:9]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 58229874HCID 58229874, compound

Product 1

HCID 44556233HCID 44556233, compound

Sources & evidence

ORD record
ord-8392d6a8eac64bd89fc217be96c6ad0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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