Acetic Acid → HCID 22485158, compound

HRID 2138349Notes

Reaction equation

HRID 2138349 reaction equation
[C:35]([BH3-:36])#[N:37].[CH3:39][C:40](=[O:41])[OH:42].[CH3:48][OH:49].[CH:32]([CH3:33])=[O:34].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([CH3:25])[n:7][c:8]3[c:9]2[n:10][c:11]([C:14]([NH:15][S:16](=[O:17])(=[O:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])=[O:24])[cH:12][cH:13]3)[cH:26][cH:27][c:28]([NH:30][CH3:31])[cH:29]1.[Na+:38].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([CH3:25])[n:7][c:8]3[c:9]2[n:10][c:11]([C:14]([NH:15][S:16](=[O:17])(=[O:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])=[O:24])[cH:12][cH:13]3)[cH:26][cH:27][c:28]([N:30]([CH3:31])[CH2:32][CH3:33])[cH:29]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 177AcetaldehydeHCID 887MethanolHCID 923Sodium ionHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 498716Cyano-borohydrideHCID 22485111HCID 22485111, compound

Product 1

HCID 22485158HCID 22485158, compound

Sources & evidence

ORD record
ord-98beac7e32874e2da8c897d364fce573
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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