Acetic Acid → HCID 178449022, compound

HRID 2344293Notes

Reaction equation

HRID 2344293 reaction equation
[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[CH3:40][CH:41]([CH:42]=[O:43])[CH3:44].[CH3:45][C:46](=[O:47])[OH:48].[Na+:62].[s:1]1[cH:2][n:3][cH:4][c:5]1[CH2:6][O:7][C:8](=[O:9])[NH:10][CH:11]([CH2:12][NH:13][CH2:14][CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][CH2:27][c:28]1[cH:29][n:30][cH:31][s:32]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[s:1]1[cH:2][n:3][cH:4][c:5]1[CH2:6][O:7][C:8](=[O:9])[NH:10][CH:11]([CH2:12][N:13]([CH2:14][CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][CH2:27][c:28]1[cH:29][n:30][cH:31][s:32]1)[CH2:42][CH:41]([CH3:40])[CH3:44])[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6561IsobutyraldehydeHCID 2724942TriacetoxyborohydrideHCID 11853946HCID 11853946, compound

Product 1

HCID 178449022HCID 178449022, compound

Sources & evidence

ORD record
ord-864b307e1b334e0e9f39b4b40c37b80e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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