Acetic Acid → HCID 18387433, compound

HRID 191420Notes

Reaction equation

HRID 191420 reaction equation
[C:45]([BH3-:46])#[N:47].[CH3:33][O:34][c:35]1[c:36]([CH:37]=[O:38])[cH:39][cH:40][c:41]([O:43][CH3:44])[cH:42]1.[CH3:51][OH:52].[CH3:53][C:54](=[O:55])[OH:56].[NH2:1][CH2:2][CH2:3][C:4]1=[CH:10][C:9](=[O:11])[N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([NH:19][C:20]([c:21]3[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]3)=[O:28])[cH:17][cH:18]2)[c:7]2[c:6]([cH:32][cH:31][cH:30][cH:29]2)[S:5]1.[Na+:48].[Na+:50].[OH-:49]>>[NH:1]([CH2:2][CH2:3][C:4]1=[CH:10][C:9](=[O:11])[N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([NH:19][C:20]([c:21]3[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]3)=[O:28])[cH:17][cH:18]2)[c:7]2[c:6]([cH:32][cH:31][cH:30][cH:29]2)[S:5]1)[CH2:37][c:36]1[c:35]([O:34][CH3:33])[cH:42][c:41]([O:43][CH3:44])[cH:40][cH:39]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 691752,4-DimethoxybenzaldehydeHCID 498716Cyano-borohydrideHCID 18387460HCID 18387460, compound

Product 1

HCID 18387433HCID 18387433, compound

Sources & evidence

ORD record
ord-e3b51b79bb0448e38c31ba6ebb450066
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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