Acetic Acid → HCID 178462580, compound

HRID 1150265Notes

Reaction equation

HRID 1150265 reaction equation
[C:33]([CH3:34])([OH:35])=[O:36].[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH:37](=[O:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]3[n:12]([c:13]([NH:15][CH:16]4[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]4)[cH:14]2)[n:22][cH:23][c:24]3[CH:25]=[C:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[NH:30]2)[cH:5][cH:6][cH:7]1.[Na+:53]>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[n:10][c:11]3[n:12]([c:13]([NH:15][CH:16]4[CH2:17][CH2:18][N:19]([CH2:33][CH3:34])[CH2:20][CH2:21]4)[cH:14]2)[n:22][cH:23][c:24]3[CH:25]=[C:26]2[C:27](=[O:32])[NH:28][C:29](=[O:31])[NH:30]2)[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 178518511HCID 178518511, compound

Product 1

HCID 178462580HCID 178462580, compound

Sources & evidence

ORD record
ord-67fee29a0bb442b880ea585f55199b6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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