Acetaldehyde → HCID 10397613, compound

HRID 2131187Notes

Reaction equation

HRID 2131187 reaction equation
[C:29](=[O:30])([OH:31])[O-:32].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:57][CH2:58][OH:59].[CH3:6][C:7]1([CH3:8])[CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[NH:15]1.[CH:25]([CH3:26])=[O:27].[Cl:16][c:17]1[n:18][n:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1.[Cl:34][c:35]1[n:36][n:37][c:38]([O:39][CH3:40])[cH:41][c:42]1[CH:43]([OH:44])[CH3:45].[ClH:28].[Na+:33].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[Cl:16][c:17]1[n:18][n:19][c:20]([O:23][CH3:24])[c:21]([CH:25]([CH3:26])[OH:27])[cH:22]1

Participants

12

Reactant 11

HCID 177AcetaldehydeHCID 313Hydrochloric AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8058HexaneHCID 130352,2,6,6-TetramethylpiperidineHCID 744033-Chloro-6-methoxypyridazineHCID 14685182HCID 14685182, compoundHCID 178418339Butyllithium

Product 1

HCID 10397613HCID 10397613, compound

Sources & evidence

ORD record
ord-7c086e6bb41e4f9bb9f2115445588430
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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