Acetic Acid → HCID 69565735, compound

HRID 115705Notes

Reaction equation

HRID 115705 reaction equation
[C:19](#[N:20])[c:21]1[cH:22][c:23]([C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29])[cH:30][cH:31][cH:32]1.[C:38](=[O:39])([O-:40])[OH:41].[CH2:1]([CH3:2])[S:3][c:4]1[cH:5][c:6]([CH:15]=[C:16]([CH3:17])[CH3:18])[cH:7][c:8]2[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9]2.[CH3:43][C:44](=[O:45])[OH:46].[Na+:42].[OH2:47].[S:33](=[O:34])(=[O:35])([OH:36])[OH:37]>>[CH2:1]([CH3:2])[S:3][c:4]1[cH:5][c:6]2[c:7]([c:8]3[c:12]1[O:11][C:10]([CH3:13])([CH3:14])[CH2:9]3)[C:19]([c:21]1[cH:22][c:23]([C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29])[cH:30][cH:31][cH:32]1)=[N:20][C:16]([CH3:17])([CH3:18])[CH2:15]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 22343777Propan-2-yl 3-cyanobenzoateHCID 22344127HCID 22344127, compound

Product 1

HCID 69565735HCID 69565735, compound

Sources & evidence

ORD record
ord-b150bffd5a874fa486c4a61cba3f06e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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