Acetic Acid → HCID 58075447, compound

HRID 2329500Notes

Reaction equation

HRID 2329500 reaction equation
[CH3:42][C:43](=[O:44])[OH:45].[Cl:1][c:2]1[n:3][c:4]2[c:9]([c:10]([NH:12][CH3:13])[n:11]1)[CH:8]=[CH:7][CH2:6][C:5]2([OH:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[Cl:21][c:22]1[n:23][cH:24][n:25](-[c:27]2[c:28]([O:34][CH3:35])[cH:29][c:30]([NH2:31])[cH:32][cH:33]2)[cH:26]1.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[c:2]1([NH:31][c:30]2[cH:29][c:28]([O:34][CH3:35])[c:27](-[n:25]3[cH:24][n:23][c:22]([Cl:21])[cH:26]3)[cH:33][cH:32]2)[n:3][c:4]2[c:9]([c:10]([NH:12][CH3:13])[n:11]1)[CH:8]=[CH:7][CH2:6][C:5]2([OH:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 312751,4-DioxaneHCID 58075657HCID 58075657, compoundHCID 580757574-(4-chloro-1H-imidazol-1-yl)-3-methoxyaniline

Product 1

HCID 58075447HCID 58075447, compound

Sources & evidence

ORD record
ord-e1ba85f2e79b4a9b83fdd6c793d1c8e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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