Acetic Acid → HCID 178423582, compound

HRID 283393Notes

Reaction equation

HRID 283393 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH3:35])[c:6]([NH:8][C:9](=[O:10])[c:11]2[n:12][cH:13][nH:14][c:15]2[C:16](=[O:17])[NH:18][c:19]2[n:20][c:21]3[c:22]([nH:23]2)[c:24]([O:28][CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:25][cH:26][cH:27]3)[cH:7]1.[C:41]([BH3-:42])#[N:43].[CH2:39]=[O:40].[CH3:36][C:37]#[N:38].[CH3:45][C:46](=[O:47])[OH:48].[Na+:44]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH3:35])[c:6]([NH:8][C:9](=[O:10])[c:11]2[n:12][cH:13][nH:14][c:15]2[C:16](=[O:17])[NH:18][c:19]2[n:20][c:21]3[c:22]([nH:23]2)[c:24]([O:28][CH:29]2[CH2:30][CH2:31][N:32]([CH3:36])[CH2:33][CH2:34]2)[cH:25][cH:26][cH:27]3)[cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 6342AcetonitrileHCID 498716Cyano-borohydrideHCID 178423581HCID 178423581, compound

Product 1

HCID 178423582HCID 178423582, compound

Sources & evidence

ORD record
ord-c89ff6b605674130a036dbd77c073a1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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