Acetic Acid → HCID 20355353, compound

HRID 685977Notes

Reaction equation

HRID 685977 reaction equation
[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[N:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:34][C:35](=[O:36])[OH:37].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[N:8]=[C:9]([S:16][CH3:17])[c:10]1[c:11]([cH:13][s:14][cH:15]1)[NH:12]2.[OH2:20]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:18][cH:19]1)[N:8]=[C:9]([N:31]1[CH2:30][CH2:29][N:28]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:33][CH2:32]1)[c:10]1[c:11]([cH:13][s:14][cH:15]1)[NH:12]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 759941-BenzylpiperazineHCID 20355322HCID 20355322, compound

Product 1

HCID 20355353HCID 20355353, compound

Sources & evidence

ORD record
ord-9453e22c3d854d6c8d0ec27fac5e2847
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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