Acetic Acid → HCID 9979486, compound

HRID 203746Notes

Reaction equation

HRID 203746 reaction equation
[C:31]([BH3-:32])#[N:33].[CH2:36]=[O:37].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][OH:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:35].[F:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8]([CH2:11][CH2:12][CH2:13][NH:14][CH2:15][CH:16]3[CH2:17][O:18][c:19]4[c:20]([c:21]5[cH:22][cH:23][c:24]([CH3:29])[n:25][c:26]5[cH:27][cH:28]4)[O:30]3)[c:9]2[cH:10]1.[Na+:34]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8]([CH2:11][CH2:12][CH2:13][N:14]([CH2:15][CH:16]3[CH2:17][O:18][c:19]4[c:20]([c:21]5[cH:22][cH:23][c:24]([CH3:29])[n:25][c:26]5[cH:27][cH:28]4)[O:30]3)[CH3:31])[c:9]2[cH:10]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 10069850HCID 10069850, compound

Product 1

HCID 9979486HCID 9979486, compound

Sources & evidence

ORD record
ord-d267a11cf557474e8634e90c6eb47b34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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