1-Methylpiperazine → 2-Butenedioic acid

HRID 2123660Notes

Reaction equation

HRID 2123660 reaction equation
[C:40]([CH:41]=[CH:42][C:43](=[O:44])[O-:45])(=[O:46])[O-:47].[CH3:33][N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[Cl:17][c:18]1[s:19][cH:20][c:21]2[c:32]1[O:31][c:30]1[c:25]([cH:26][cH:27][cH:28][cH:29]1)[N:24]=[C:22]2[Cl:23].[Cl:1][c:2]1[s:3][cH:4][c:5]2[c:6]1[O:7][c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[NH:10][C:11]2=[O:12]>>[C:40]([CH:41]=[CH:42][C:43](=[O:44])[OH:45])(=[O:46])[OH:47].[Cl:1][c:2]1[s:3][cH:4][c:5]2[c:6]1[O:7][c:8]1[c:9]([cH:13][cH:14][cH:15][cH:16]1)[N:10]=[C:11]2[N:37]1[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]1

Participants

6

Reactant 4

HCID 531671-MethylpiperazineHCID 164547ButenedioateHCID 12581868HCID 12581868, compoundHCID 21315972HCID 21315972, compound

Product 2

HCID 7232-Butenedioic acidHCID 12703423HCID 12703423, compound

Sources & evidence

ORD record
ord-b0e3a0a24630410da94ffb28bc2e22de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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