Acetic Acid → HCID 178450452, compound

HRID 1234233Notes

Reaction equation

HRID 1234233 reaction equation
[BH4-:39].[BH4-:41].[BH4-:42].[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH2:11][CH:12]2[CH:13]([OH:38])[CH2:14][CH:15]3[CH:16]4[CH2:17][CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][C:23]([CH:24]([CH3:25])[CH3:26])=[O:27])[CH3:28])[C:29]4([CH3:37])[CH2:30][CH2:31][CH:32]3[C:33]2([CH3:36])[CH2:34][CH2:35]1.[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[CH3:52][OH:53].[CH3:54][C:55](=[O:56])[OH:57].[Ca+2:40].[Ca+2:46].[Cl-:44].[Cl-:45].[Na+:43]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[CH2:11][CH:12]2[CH:13]([OH:38])[CH2:14][CH:15]3[CH:16]4[CH2:17][CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH:23]([CH:24]([CH3:25])[CH3:26])[OH:27])[CH3:28])[C:29]4([CH3:37])[CH2:30][CH2:31][CH:32]3[C:33]2([CH3:36])[CH2:34][CH2:35]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 271Calcium Cation2×HCID 312Chloride2×HCID 887MethanolHCID 923Sodium ionHCID 3283Diethyl EtherHCID 28123Borohydride3×HCID 178450451HCID 178450451, compound

Product 1

HCID 178450452HCID 178450452, compound

Sources & evidence

ORD record
ord-96ca18b3c288448da69aa82d35db4f7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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