Ethanol → HCID 12941114, compound

HRID 163581Notes

Reaction equation

HRID 163581 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[NH:14][c:15]1[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]1.[C:41](=[O:42])([OH:43])[O-:44].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:46][CH2:47][OH:48].[Cl:49][CH2:50][Cl:51].[Na+:45].[c:22]1([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[NH:14][c:15]1[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]1)[N:31]1[CH2:30][CH2:29][N:28]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:33][CH2:32]1

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 70961-PhenylpiperazineHCID 8471TriethylamineHCID 12941116HCID 12941116, compound

Product 1

HCID 12941114HCID 12941114, compound

Sources & evidence

ORD record
ord-d54494576ff848f7b4f4042bb29fbe32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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