Valinol → HCID 67670015, compound

HRID 1144570Notes

Reaction equation

HRID 1144570 reaction equation
[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1.[NH2:28][CH:29]([CH2:30][OH:31])[CH:32]([CH3:33])[CH3:34]>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:28][CH:29]([CH2:30][OH:31])[CH:32]([CH3:33])[CH3:34])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1

Participants

3

Reactant 2

HCID 79019ValinolHCID 109595584-[1-[3-(Isopropylamino)-2-pyridyl]piperazin-4-yl-carbonyl]benzoic acid

Product 1

HCID 67670015HCID 67670015, compound

Sources & evidence

ORD record
ord-6fb8c150e4b849479970df7dc1dcfb27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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