Acetic Acid → HCID 21094410, compound

HRID 285046Notes

Reaction equation

HRID 285046 reaction equation
[C:47]([OH:48])(=[O:49])[CH3:50].[CH2:45]=[O:46].[CH3:1][CH:2]1[N:3]([CH3:21])[c:4]2[c:5]([c:6]3[c:7]([C:15]([F:16])([F:17])[F:18])[cH:8][c:9](=[O:14])[nH:10][c:11]3[cH:12][cH:13]2)[O:19][CH2:20]1.[CH:22]([CH3:23])([CH3:24])[O:25][c:26]1[cH:27][c:28]([C:29]([F:30])([F:31])[F:32])[c:33]2[c:34]([cH:35][cH:36][c:37]3[c:43]2[O:42][CH2:41][CH:39]([CH3:40])[NH:38]3)[n:44]1>>[CH3:1][CH:2]1[N:3]([CH3:21])[c:4]2[c:5]([c:6]3[c:7]([C:15]([F:16])([F:17])[F:18])[cH:8][c:9]([O:14][CH:22]([CH3:23])[CH3:24])[n:10][c:11]3[cH:12][cH:13]2)[O:19][CH2:20]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 712FormaldehydeHCID 9857420HCID 9857420, compoundHCID 21094356HCID 21094356, compound

Product 1

HCID 21094410HCID 21094410, compound

Sources & evidence

ORD record
ord-7a078bfe24da4db88f5bd4944d87addb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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