Acetic Acid → HCID 20355333, compound

HRID 315273Notes

Reaction equation

HRID 315273 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[OH2:18].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]=[C:8]([S:15][CH3:16])[c:9]1[c:10]([cH:12][s:13][cH:14]1)[NH:11]2.[c:19]1([N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]=[C:8]([N:28]1[CH2:27][CH2:26][N:25]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:30][CH2:29]1)[c:9]1[c:10]([cH:12][s:13][cH:14]1)[NH:11]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 70961-PhenylpiperazineHCID 20355330HCID 20355330, compound

Product 1

HCID 20355333HCID 20355333, compound

Sources & evidence

ORD record
ord-c629dfa6708648c6be650b940f33febf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…