Acetic Acid → HCID 72325679, compound

HRID 694807Notes

Reaction equation

HRID 694807 reaction equation
[Br:36][CH2:37][C:38](=[CH2:39])[CH3:40].[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:47][C:48](=[O:49])[OH:50].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl:19][c:20]1[c:21]([C:22]#[N:23])[cH:24][cH:25][c:26]([N:28]2[CH:29]([CH3:35])[CH:30]([OH:34])[CH2:31][C:32]2=[O:33])[cH:27]1.[OH2:46]>>[Cl:19][c:20]1[c:21]([C:22]#[N:23])[cH:24][cH:25][c:26]([N:28]2[CH:29]([CH3:35])[CH:30]([OH:34])[CH:31]([CH2:39][C:38](=[CH2:37])[CH3:40])[C:32]2=[O:33])[cH:27]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 3577853-Bromo-2-methyl-1-propeneHCID 72325724HCID 72325724, compoundHCID 178418339Butyllithium

Product 1

HCID 72325679HCID 72325679, compound

Sources & evidence

ORD record
ord-aade1c21826e4fc5947e491c6ed43145
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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