Acetic Acid → HCID 49787391, compound

HRID 1205396Notes

Reaction equation

HRID 1205396 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:21][CH3:22])[c:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][C:16](=[O:17])[NH:18][CH3:19])[CH2:13][CH2:14]2)[cH:20]1.[C:37](#[N:38])[CH2:39][CH3:40].[CH3:23][C:24](=[O:25])[OH:26].[NH3:36].[OH2:41].[OH:32][N+:33]([O-:34])=[O:35].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[C:1](#[N:2])[c:3]1[c:4]([N+:33](=[O:32])[O-:34])[cH:5][c:6]([O:21][CH3:22])[c:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][C:16](=[O:17])[NH:18][CH3:19])[CH2:13][CH2:14]2)[cH:20]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 222AmmoniaHCID 944Nitric AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 7854PropionitrileHCID 49787392HCID 49787392, compound

Product 1

HCID 49787391HCID 49787391, compound

Sources & evidence

ORD record
ord-8ed992d56a9f4244a34159e2c65f4b2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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