Acetic Acid → 1649468-09-6

HRID 1149113Notes

Reaction equation

HRID 1149113 reaction equation
[BH4-:29].[CH2:14]([Al+:15][CH2:16][CH:17]([CH3:18])[CH3:19])[CH:20]([CH3:21])[CH3:22].[CH3:31][OH:32].[CH3:33][C:34](=[O:35])[OH:36].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]#[N:10])([CH3:11])[CH3:12])[cH:6][n:7]1.[H-:13].[Na+:30].[Na:28].[OH2:37].[S:23]([OH:24])(=[O:25])(=[O:26])[OH:27]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][OH:24])([CH3:11])[CH3:12])[cH:6][n:7]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 1140TolueneHCID 28123BorohydrideHCID 166653HydrideHCID 5360545SodiumHCID 16686348Bis(2-methylpropyl)alumanyliumHCID 221593512-(6-Chloropyridin-3-yl)-2-methylpropanenitrile

Product 1

HCID 221593551649468-09-6

Sources & evidence

ORD record
ord-97a53ca2090d435a863cd8f7373288aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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