Acetic Acid → Acetic Acid

HRID 1558026Notes

Reaction equation

HRID 1558026 reaction equation
[CH2:31]([OH:32])[CH3:33].[CH3:27][C:28]([OH:29])=[O:30].[n:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][c:11]([NH:15][c:16]3[n:17][cH:18][cH:19][c:20](-[c:22]4[s:23][cH:24][cH:25][cH:26]4)[n:21]3)[cH:12][cH:13][cH:14]2)[cH:2][n:3][cH:4][cH:5]1>>[CH3:27][C:28](=[O:29])[OH:30].[n:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][c:11]([NH:15][c:16]3[n:17][cH:18][cH:19][c:20](-[c:22]4[s:23][cH:24][cH:25][cH:26]4)[n:21]3)[cH:12][cH:13][cH:14]2)[cH:2][n:3][cH:4][cH:5]1

Participants

5

Reactant 3

HCID 176Acetic AcidHCID 702EthanolHCID 9820417N-[3-[2-(1H-imidazol-1-yl)ethoxy]phenyl]-4-(2-thienyl)-2-pyrimidinamine

Product 2

HCID 176Acetic AcidHCID 9820417N-[3-[2-(1H-imidazol-1-yl)ethoxy]phenyl]-4-(2-thienyl)-2-pyrimidinamine

Sources & evidence

ORD record
ord-01fdb51c814a4cae8070bc480c7dc255
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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