Ethanol → HCID 53951774, compound

HRID 153664Notes

Reaction equation

HRID 153664 reaction equation
[CH3:45][CH2:46][OH:47].[I:3][CH2:4][CH2:5][O:6][N:7]=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[c:14]1[n:15][c:16]([NH:19][C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[s:17][cH:18]1.[Na+:2].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH-:1]>>[I:3][CH2:4][CH2:5][O:6][N:7]=[C:8]([C:9](=[O:10])[OH:11])[c:14]1[n:15][c:16]([NH:19][C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[s:17][cH:18]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 54296994HCID 54296994, compound

Product 1

HCID 53951774HCID 53951774, compound

Sources & evidence

ORD record
ord-420ea7ff97e5453bbd5ec9df962314be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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