Acetic Acid → HCID 70609976, compound

HRID 309242Notes

Reaction equation

HRID 309242 reaction equation
[CH3:19][C:20]([OH:21])=[O:22].[OH2:28].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27].[c:1]1(-[c:7]2[c:8]([CH2:16][C:17]#[N:18])[o:9][c:10]3[cH:14][cH:13][cH:12][c:11]-3[cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8]([CH2:19][C:20]([OH:21])=[O:22])[o:9][c:10]3[cH:14][cH:13][cH:12][c:11]-3[cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 70638352(3-Phenylcyclopenta[b]pyran-2-yl)acetonitrile

Product 1

HCID 70609976HCID 70609976, compound

Sources & evidence

ORD record
ord-29e59c3c31a8479babbd81a80123a912
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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