Acetic Acid → HCID 68416868, compound

HRID 1144845Notes

Reaction equation

HRID 1144845 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:58]([O:59][CH2:60][CH3:61])(=[O:62])[CH3:63].[CH3:23][O:24][C:25]([c:26]1[cH:27][cH:28][c:29]([CH:32]=[O:33])[cH:30][cH:31]1)=[O:34].[CH3:49][C:50](=[O:51])[OH:52].[Cl:53][CH:54]([Cl:55])[CH3:56].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[NH:11][CH:12]2[CH2:13][CH2:14]2)=[CH:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1.[Na+:48].[OH2:57]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[NH:11][CH:12]2[CH2:13][CH2:14]2)=[CH:15][c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:6][cH:7]1)[CH2:32][c:29]1[cH:28][cH:27][c:26]([C:25]([O:24][CH3:23])=[O:34])[cH:31][cH:30]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 63651,1-DichloroethaneHCID 8857Ethyl AcetateHCID 15294Methyl 4-FormylbenzoateHCID 2724942TriacetoxyborohydrideHCID 68408134HCID 68408134, compound

Product 1

HCID 68416868HCID 68416868, compound

Sources & evidence

ORD record
ord-54ab2d829edc449ea7b688c7a868f203
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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