Acetic Acid → HCID 135482192, compound

HRID 1550380Notes

Reaction equation

HRID 1550380 reaction equation
[CH3:26][C:27]([OH:28])=[O:29].[F:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]3[c:12](-[c:17]4[nH:18][c:19]5[cH:20][cH:21][cH:22][cH:23][c:24]5[cH:25]4)[n:13][nH:14][c:15]3[cH:16]2)[cH:7]1.[OH2:30]>>[c:2]1(=[O:28])[nH:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]3[c:12](-[c:17]4[nH:18][c:19]5[cH:20][cH:21][cH:22][cH:23][c:24]5[cH:25]4)[n:13][nH:14][c:15]3[cH:16]2)[cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 135532327HCID 135532327, compound

Product 1

HCID 135482192HCID 135482192, compound

Sources & evidence

ORD record
ord-2cc7e16c6c8d4927b06ab2757f48b82e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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