Ethanol → HCID 59272469, compound

HRID 2139285Notes

Reaction equation

HRID 2139285 reaction equation
[CH3:40][CH2:41][OH:42].[Na+:39].[OH-:38].[OH2:43].[n:1]1([CH2:6][CH2:7][NH:8][c:9]2[n:10][cH:11][c:12]([F:37])[c:13](-[c:15]3[cH:16][c:17]4[c:18]([s:19]3)[c:20](-[c:24]3[c:25]([C:31]([CH3:32])([CH3:33])[NH:34][CH:35]=[O:36])[cH:26][cH:27][c:28]([F:30])[cH:29]3)[cH:21][cH:22][cH:23]4)[n:14]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][NH:8][c:9]2[n:10][cH:11][c:12]([F:37])[c:13](-[c:15]3[cH:16][c:17]4[c:18]([s:19]3)[c:20](-[c:24]3[c:25]([C:31]([CH3:32])([CH3:33])[NH2:34])[cH:26][cH:27][c:28]([F:30])[cH:29]3)[cH:21][cH:22][cH:23]4)[n:14]2)[n:2][n:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 86640665HCID 86640665, compound

Product 1

HCID 59272469HCID 59272469, compound

Sources & evidence

ORD record
ord-113ea0931e6f4471a835d3131be1105a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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