Acetic Acid → HCID 69624508, compound

HRID 2160455Notes

Reaction equation

HRID 2160455 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([NH:21][CH2:22][CH:23]=[CH:24][c:25]3[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[C:40]([BH3-:41])#[N:42].[CH3:36][C:37](=[O:38])[OH:39].[CH3:47][OH:48].[CH:33]([CH3:34])=[O:35].[Cl:44][CH2:45][Cl:46].[Na+:43].[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([N:21]([CH2:22][CH:23]=[CH:24][c:25]3[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31][cH:32]3)[CH2:33][CH3:34])[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 498716Cyano-borohydrideHCID 69624286HCID 69624286, compound

Product 1

HCID 69624508HCID 69624508, compound

Sources & evidence

ORD record
ord-309aef80046348898cd2392bf28c8c2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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