4-Phenylbutyric Acid → HCID 16035657, compound

HRID 1136164Notes

Reaction equation

HRID 1136164 reaction equation
[NH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[CH2:21][CH2:22][N:23]([C:26](=[O:27])[c:28]3[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]3)[CH2:24][CH2:25]2)[n:18][n:19]1.[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([N:20]3[CH2:21][CH2:22][N:23]([C:26](=[O:27])[c:28]4[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]4)[CH2:24][CH2:25]3)[n:18][n:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

3

Reactant 2

HCID 47754-Phenylbutyric AcidHCID 66849536[4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone

Product 1

HCID 16035657HCID 16035657, compound

Sources & evidence

ORD record
ord-7c3b0e6a3f3f4c5ab4c62900fcc20ce8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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