Ethanol → HCID 178457032, compound

HRID 1114874Notes

Reaction equation

HRID 1114874 reaction equation
[CH3:1][CH2:2][OH:3].[K+:5].[OH-:4].[OH2:47].[c:6]1([CH2:12][CH2:13][n:14]2[n:15][c:16]([N:25]([CH2:26][c:27]3[cH:28][cH:29][c:30](-[c:33]4[c:34](-[c:39]5[n:40][n:41][n:42][nH:43]5)[cH:35][cH:36][cH:37][cH:38]4)[cH:31][cH:32]3)[CH2:44][CH2:45][CH3:46])[c:17]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:18]2[Br:19])[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[c:6]1([CH2:12][CH2:13][n:14]2[n:15][c:16]([N:25]([CH2:26][c:27]3[cH:28][cH:29][c:30](-[c:33]4[c:34](-[c:39]5[n:40][n:41][n:42][nH:43]5)[cH:35][cH:36][cH:37][cH:38]4)[cH:31][cH:32]3)[CH2:44][CH2:45][CH3:46])[c:17]([C:20](=[O:21])[OH:22])[c:18]2[Br:19])[cH:7][cH:8][cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 178457033HCID 178457033, compound

Product 1

HCID 178457032HCID 178457032, compound

Sources & evidence

ORD record
ord-2b6c83639e374acebcd09c689c2c8e5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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