2-Methylpentane → HCID 53629680, compound

HRID 166852Notes

Reaction equation

HRID 166852 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH3:69][CH2:70][CH2:71][CH:72]([CH3:73])[CH3:74].[O:20]1[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]1.[O:46]=[C:47]([O:48][CH2:49][CH3:50])[N:51]=[N:52][C:53]([O:54][CH2:55][CH3:56])=[O:57].[OH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:11]1.[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[O:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:11]1)[CH:23]1[CH2:22][CH2:21][O:20][CH2:25][CH2:24]1

Participants

8

Reactant 7

HCID 78922-MethylpentaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 74956Tetrahydro-4H-pyran-4-olHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 7472028Methyl 3-(benzyloxy)-5-hydroxybenzoate

Product 1

HCID 53629680HCID 53629680, compound

Sources & evidence

ORD record
ord-ae110d0ba7b947a0aca417de8315e246
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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