Acetic Acid → HCID 21054829, compound

HRID 673722Notes

Reaction equation

HRID 673722 reaction equation
[CH2:32]=[O:33].[CH3:34][C:35](=[O:36])[OH:37].[CH3:38][O:39][BH-:40]([O:41][CH3:42])[O:43][CH3:44].[CH3:51][OH:52].[NH:1]1[CH2:2][CH2:3][CH:4]([NH:7][C:8](=[O:9])[n:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([O:19][c:20]4[cH:21][c:22]([NH:26][C:27](=[O:28])[NH:29][CH2:30][CH3:31])[n:23][cH:24][cH:25]4)[cH:16][cH:17][c:18]23)[CH2:5][CH2:6]1.[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[N:1]1([CH3:34])[CH2:2][CH2:3][CH:4]([NH:7][C:8](=[O:9])[n:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([O:19][c:20]4[cH:21][c:22]([NH:26][C:27](=[O:28])[NH:29][CH2:30][CH3:31])[n:23][cH:24][cH:25]4)[cH:16][cH:17][c:18]23)[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 3084263HCID 3084263, compoundHCID 21054831HCID 21054831, compound

Product 1

HCID 21054829HCID 21054829, compound

Sources & evidence

ORD record
ord-ebed52815ca140208a7cdbf10d849e8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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