Acetic Acid → HCID 178446344, compound

HRID 1129990Notes

Reaction equation

HRID 1129990 reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH3:40][CH:41]([CH3:42])[CH2:43][CH:44]=[O:45].[CH3:46][C:47](=[O:48])[OH:49].[Na+:63].[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)[CH2:44][CH2:43][CH:41]([CH3:40])[CH3:42])[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 115523-MethylbutanalHCID 2724942TriacetoxyborohydrideHCID 11853946HCID 11853946, compound

Product 1

HCID 178446344HCID 178446344, compound

Sources & evidence

ORD record
ord-ed0b7013ecab48c7b3181acbdd6a29cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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