Acetic Acid → HCID 53825859, compound

HRID 699729Notes

Reaction equation

HRID 699729 reaction equation
[C:44]([BH3-:45])#[N:46].[CH3:1][O:2][P:3](=[O:4])([CH2:5][CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[C:11]([NH:12][CH:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[C:23]([NH:24][CH3:25])=[O:26])=[O:27])[CH2:28][c:29]1[cH:30][c:31]([NH2:35])[cH:32][cH:33][cH:34]1.[CH3:48][C:49](=[O:50])[OH:51].[CH3:52][OH:53].[CH:36](=[O:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Na+:47]>>[CH3:1][O:2][P:3](=[O:4])([CH2:5][CH:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[C:11]([NH:12][CH:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]1)[C:23]([NH:24][CH3:25])=[O:26])=[O:27])[CH2:28][c:29]1[cH:30][c:31]([NH:35][CH2:36][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:32][cH:33][cH:34]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 240BenzaldehydeHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 53658361HCID 53658361, compound

Product 1

HCID 53825859HCID 53825859, compound

Sources & evidence

ORD record
ord-51a20bedf859482aa6ca39647e332442
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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