Acetic Acid → HCID 72325739, compound

HRID 1200817Notes

Reaction equation

HRID 1200817 reaction equation
[Br:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:50][C:51](=[O:52])[OH:53].[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.[OH2:49]>>[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]([CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[C:32]2=[O:33])[cH:27]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 962WaterHCID 7498Benzyl BromideHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 72325724HCID 72325724, compoundHCID 178418339Butyllithium

Product 1

HCID 72325739HCID 72325739, compound

Sources & evidence

ORD record
ord-41e30de9222a426e82c01939b30afc89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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