Acetone → HCID 178438159, compound

HRID 1234303Notes

Reaction equation

HRID 1234303 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([C:25]#[CH:26])[C:6]2([CH2:7][CH3:8])[CH:9]([CH:10]=[CH:11]1)[CH:12]1[CH2:13][CH2:14][C:15]3=[CH:16][C:17](=[O:24])[CH2:18][CH2:19][CH:20]3[CH:21]1[CH2:22][CH2:23]2.[C:33]([O:34][Al:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])([CH3:46])([CH3:47])[CH3:48].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[CH3:61][C:62]([CH3:63])=[O:64].[H-:32].[Li+:49].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[OH2:65].[S:50](=[O:51])(=[O:52])([OH:53])[OH:54]>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([C:25]#[CH:26])[C:6]2([CH2:7][CH3:8])[CH:9]([CH:10]=[CH:11]1)[CH:12]1[CH2:13][CH2:14][C:15]3=[CH:16][CH:17]([OH:24])[CH2:18][CH2:19][CH:20]3[CH:21]1[CH2:22][CH2:23]2

Participants

10

Reactant 9

HCID 180AcetoneHCID 962WaterHCID 1118Sulfuric AcidHCID 8028TetrahydrofuranHCID 8058HexaneHCID 28486Lithium ionHCID 166653HydrideHCID 16684776ALUMINUM-tert-BUTOXIDEHCID 22348529HCID 22348529, compound

Product 1

HCID 178438159HCID 178438159, compound

Sources & evidence

ORD record
ord-3f1f92ce975945c5b4aee8769b43481d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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