Acetic Acid → HCID 21105747, compound

HRID 162022Notes

Reaction equation

HRID 162022 reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][cH:22]3)[cH:12]2)[cH:6][cH:7]1.[ClH:23].[OH2:28]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:21][cH:22]3)[cH:12]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 22934522HCID 22934522, compound

Product 1

HCID 21105747HCID 21105747, compound

Sources & evidence

ORD record
ord-93f1fc811a364b31bfcd1a42b9432d0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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