Methanol → HCID 178524326, compound

HRID 1220220Notes

Reaction equation

[C:42]([c:43]1[cH:44][c:45]([C:49]([O:50][CH3:51])=[O:52])[cH:46][cH:47][cH:48]1)(=[O:53])[CH3:54].[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:4][O:5][C:6]([c:7]1[cH:8][c:9](-[c:13]2[n:14][nH:15][c:16]([C:18]([NH:19][CH2:20][C:21]([N:22]3[CH2:23][CH2:24][CH:25]([O:28][c:29]4[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]4)[CH2:26][CH2:27]3)=[O:39])=[O:40])[cH:17]2)[cH:10][cH:11][cH:12]1)=[O:41].[CH3:65][OH:66].[Li+:2].[OH-:1].[OH2:3].[OH2:67].[nH:55]1[cH:56][cH:57][cH:58][n:59]1>>[O:5]=[C:6]([c:7]1[cH:8][c:9](-[c:13]2[nH:14][n:15][c:16]([C:18]([NH:19][CH2:20][C:21]([N:22]3[CH2:23][CH2:24][CH:25]([O:28][c:29]4[cH:30][c:31]([C:35]([F:36])([F:37])[F:38])[cH:32][cH:33][cH:34]4)[CH2:26][CH2:27]3)=[O:39])=[O:40])[cH:17]2)[cH:10][cH:11][cH:12]1)[OH:41]

Participants

Reactant 8

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 15094405Methyl 3-acetylbenzoate

HCID 665915813-(5-{2-oxo-2-[4-(3-trifluoromethyl-phenoxy)-piperidin-1-yl]-ethylcarbamoyl}-1H-pyrazol-3-yl)-benzoic acid methyl ester

Product 1

HCID 178524326HCID 178524326, compound

Sources & evidence

ORD record: ord-d92054f35acb45269ccc19fe2b9f126e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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