Acetic Acid → HCID 22666860, compound

HRID 2328077Notes

Reaction equation

HRID 2328077 reaction equation
[C:40]([BH3-:41])#[N:42].[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][c:7]([CH:8]=[O:9])[cH:10][c:11]([O:14][CH2:15][CH:16]=[CH2:17])[c:12]1[Br:13].[CH3:46][OH:47].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[CH3:62][C:63](=[O:64])[OH:65].[Cl-:49].[NH2:18][CH:19]([CH2:20][c:21]1[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]1)[CH2:28][O:29][Si:30]([CH:31]([CH3:32])[CH3:33])([CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39].[Na+:43].[Na+:45].[Na+:48].[OH-:44]>>[CH2:1]([CH:2]=[CH2:3])[O:4][c:5]1[cH:6][c:7]([CH2:8][NH:18][CH:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([OH:27])[cH:25][cH:26]2)[CH2:28][O:29][Si:30]([CH:31]([CH3:32])[CH3:33])([CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39])[cH:10][c:11]([O:14][CH2:15][CH:16]=[CH2:17])[c:12]1[Br:13]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 312ChlorideHCID 887MethanolHCID 923Sodium ion3×HCID 961HydroxideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 67097943,5-Bis-(allyloxy)-4-bromobenzaldehydeHCID 6709795HCID 6709795, compound

Product 1

HCID 22666860HCID 22666860, compound

Sources & evidence

ORD record
ord-199eda3cd8814f1eba67ac939784b7b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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