Acetic Acid → HCID 66968221, compound

HRID 1558164Notes

Reaction equation

HRID 1558164 reaction equation
[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH:15]([CH2:16][CH:17]=[O:18])[O:19][c:20]2[cH:21][c:22]([CH3:27])[c:23]([F:26])[cH:24][cH:25]2)=[O:28])[C:10](=[O:13])[O:11][CH2:12]1.[F:29][c:30]1[c:31]([CH3:41])[cH:32][c:33]([CH2:36][CH2:37][CH2:38][NH:39][CH3:40])[cH:34][cH:35]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH:15]([CH2:16][CH2:17][N:39]([CH2:38][CH2:37][CH2:36][c:33]2[cH:32][c:31]([CH3:41])[c:30]([F:29])[cH:35][cH:34]2)[CH3:40])[O:19][c:20]2[cH:21][c:22]([CH3:27])[c:23]([F:26])[cH:24][cH:25]2)=[O:28])[C:10](=[O:13])[O:11][CH2:12]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 59775197HCID 59775197, compoundHCID 72558469HCID 72558469, compound

Product 1

HCID 66968221HCID 66968221, compound

Sources & evidence

ORD record
ord-f68e1d4df1cf4ba19c62525ddfa19377
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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