Lactic Acid → Lactic Acid

HRID 172040Notes

Reaction equation

HRID 172040 reaction equation
[CH2:33]([OH:34])[CH3:35].[CH3:27][CH:28]([OH:29])[C:30]([OH:31])=[O:32].[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][CH:28]([OH:29])[C:30](=[O:31])[OH:32].[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 612Lactic AcidHCID 702EthanolHCID 9820417N-[3-[2-(1H-imidazol-1-yl)ethoxy]phenyl]-4-(2-thienyl)-2-pyrimidinamine

Product 2

HCID 612Lactic AcidHCID 9820417N-[3-[2-(1H-imidazol-1-yl)ethoxy]phenyl]-4-(2-thienyl)-2-pyrimidinamine

Sources & evidence

ORD record
ord-578d114d975e42dd9b05458159ceb5a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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