Acetic Acid → HCID 178471645, compound

HRID 157474Notes

Reaction equation

HRID 157474 reaction equation
[C:25]([CH3:26])(=[O:27])[NH:28][c:29]1[nH:30][c:31](=[O:46])[c:32]([CH2:42][CH2:43][CH:44]=[O:45])[c:33]([N:35]([C:36]([CH3:37])=[O:38])[C:39]([CH3:40])=[O:41])[n:34]1.[C:51]([BH3-:52])#[N:53].[CH3:47][C:48](=[O:49])[OH:50].[CH3:55][CH2:56][OH:57].[CH3:58][OH:59].[NH2:1][c:2]1[c:3]([F:24])[cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]1.[Na+:54]>>[NH:1]([c:2]1[c:3]([F:24])[cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]1)[CH2:44][CH2:43][CH2:42][c:32]1[c:31](=[O:46])[nH:30][c:29]([NH:28][C:25]([CH3:26])=[O:27])[n:34][c:33]1[N:35]([C:36]([CH3:37])=[O:38])[C:39]([CH3:40])=[O:41]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 135578121HCID 135578121, compoundHCID 178471648HCID 178471648, compound

Product 1

HCID 178471645HCID 178471645, compound

Sources & evidence

ORD record
ord-164ba4df8abe4c0c81dd08f31d584b2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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