Acetic Acid → HCID 136130842, compound

HRID 2139409Notes

Reaction equation

HRID 2139409 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:29]1[CH2:30][O:31][CH2:32][CH2:33][NH:34]1.[CH3:35][C:36](=[O:37])[OH:38].[CH3:53][OH:54].[Na+:52].[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][c:23]([CH:24]=[O:25])[cH:26][cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:1]=[c:2]1[nH:3][n:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][cH:10][c:11]13)[NH:12][CH:13]([c:21]1[cH:22][c:23]([CH2:24][N:34]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:26][cH:27][cH:28]1)[CH:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 8083MorpholineHCID 2724942TriacetoxyborohydrideHCID 136374706HCID 136374706, compound

Product 1

HCID 136130842HCID 136130842, compound

Sources & evidence

ORD record
ord-6adc8dbeed874fffab6792c506bb0a08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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