Acetic Acid → HCID 178462476, compound

HRID 1219133Notes

Reaction equation

HRID 1219133 reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:32]=[O:33].[CH3:34][C:35](=[O:36])[OH:37].[CH3:52][OH:53].[NH2:1][c:2]1[c:3](-[c:7]2[n:8]([CH2:30][CH3:31])[c:9]3[c:10]([c:11]([C:23]#[C:24][C:25]([CH3:26])([OH:27])[CH3:28])[n:12][cH:13][c:14]3[O:15][CH2:16][CH:17]3[O:18][CH2:19][CH2:20][NH:21][CH2:22]3)[n:29]2)[n:4][o:5][n:6]1.[Na+:51]>>[NH2:1][c:2]1[c:3](-[c:7]2[n:8]([CH2:30][CH3:31])[c:9]3[c:10]([c:11]([C:23]#[C:24][C:25]([CH3:26])([OH:27])[CH3:28])[n:12][cH:13][c:14]3[O:15][CH2:16][CH:17]3[O:18][CH2:19][CH2:20][N:21]([CH3:34])[CH2:22]3)[n:29]2)[n:4][o:5][n:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 16725699HCID 16725699, compound

Product 1

HCID 178462476HCID 178462476, compound

Sources & evidence

ORD record
ord-c56e486146a449609de7cfdc4d69f75e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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