Ethanol → HCID 54721547, compound

HRID 694162Notes

Reaction equation

HRID 694162 reaction equation
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][CH2:44][OH:45].[CH:15]([CH3:16])([CH3:17])[c:18]1[c:19]([S:25][S:26]([c:27]2[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]2)(=[O:34])=[O:35])[cH:20][c:21]([CH3:24])[cH:22][cH:23]1.[OH:1][C:2]1=[CH:3][C:4](=[O:14])[NH:5][CH:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([S:25][c:19]2[c:18]([CH:15]([CH3:16])[CH3:17])[cH:23][cH:22][c:21]([CH3:24])[cH:20]2)[C:4](=[O:14])[NH:5][CH:6]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8471TriethylamineHCID 53941198HCID 53941198, compoundHCID 54686255HCID 54686255, compound

Product 1

HCID 54721547HCID 54721547, compound

Sources & evidence

ORD record
ord-9ed4e175c0714a83a142cc72e5145b28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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