Chloride → 2-(2-Isobutoxyphenyl)ethanal

HRID 2331184Notes

Reaction equation

HRID 2331184 reaction equation
[CH2:31]([Li:32])[CH2:33][CH2:34][CH3:35].[CH2:36]([CH:37]([CH3:38])[CH3:39])[O:40][c:41]1[c:42]([CH:43]=[O:44])[cH:45][cH:46][cH:47][cH:48]1.[CH3:2][O:3][CH2:4][P+:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH:24]([NH:25][CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl-:1].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[O:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[OH2:65].[S:49](=[O:50])(=[O:51])([OH:52])[OH:53]>>[CH:2](=[O:3])[CH2:43][c:42]1[c:41]([O:40][CH2:36][CH:37]([CH3:38])[CH3:39])[cH:48][cH:47][cH:46][cH:45]1

Participants

12

Reactant 11

HCID 312ChlorideHCID 962WaterHCID 1118Sulfuric AcidHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 2723799(Methoxymethyl)triphenylphosphonium chlorideHCID 38575282-(2-Methylpropoxy)benzaldehydeHCID 178418339Butyllithium

Product 1

HCID 178165132-(2-Isobutoxyphenyl)ethanal

Sources & evidence

ORD record
ord-f6232598a3874978aeb0eec587cacf03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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