Acetic Acid → HCID 9843470, compound

HRID 1153193Notes

Reaction equation

HRID 1153193 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[CH3:37][OH:38].[N+:5]([O-:6])(=[O:7])[c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[c:15]([O:16][c:17]3[cH:18][c:19]([C:26](=[O:27])[OH:28])[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]3)[cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35]1.[OH2:36]>>[NH2:5][c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][c:14]2[c:15]([O:16][c:17]3[cH:18][c:19]([C:26](=[O:27])[OH:28])[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]3)[cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 657140HCID 657140, compound

Product 1

HCID 9843470HCID 9843470, compound

Sources & evidence

ORD record
ord-1fd8e0d2cb7e432dbb720d56084d68ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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