Acetic Acid → HCID 178419869, compound

HRID 1555591Notes

Reaction equation

HRID 1555591 reaction equation
[CH2:23]1[CH2:24][NH:25][CH2:26][CH2:27][NH:28]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:37][C:38](=[O:39])[OH:40].[Cl:1][CH2:2][CH2:3][N:4]1[CH2:5][CH:6]2[N:7]([c:8]3[c:9]([cH:17][cH:18][cH:19][cH:20]3)[CH2:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:21][CH2:22]1.[OH2:36]>>[CH2:2]([CH2:3][N:4]1[CH2:5][CH:6]2[N:7]([c:8]3[c:9]([cH:17][cH:18][cH:19][cH:20]3)[CH2:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[CH2:21][CH2:22]1)[N:25]1[CH2:24][CH2:23][NH:28][CH2:27][CH2:26]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 4837PiperazineHCID 178478495HCID 178478495, compound

Product 1

HCID 178419869HCID 178419869, compound

Sources & evidence

ORD record
ord-36a230a925bb457f9bc8062860903174
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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