Water → 1-[4-(p-Fluorophenyl)-4-hydroxy-2-butynyl]-4-(2-keto-1-benzimidazolinyl)piperidine

HRID 104440Notes

Reaction equation

HRID 104440 reaction equation
[F:17][c:18]1[cH:19][cH:20][c:21]([CH:24]([C:25]#[CH:26])[OH:27])[cH:22][cH:23]1.[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]1)[cH:13][cH:14][cH:15][cH:16]2.[O:38]1[CH2:39][CH2:43][O:42][CH2:41][CH2:40]1.[OH2:28].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:44].[S:33]([OH:34])([OH:35])(=[O:36])=[O:37]>>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][N:10]([CH2:39][C:26]#[C:25][CH:24]([c:21]3[cH:20][cH:19][c:18]([F:17])[cH:23][cH:22]3)[OH:27])[CH2:11][CH2:12]1)[cH:13][cH:14][cH:15][cH:16]2

Participants

6

Reactant 5

HCID 962Water6×HCID 1118Sulfuric AcidHCID 312751,4-DioxaneHCID 886381,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 112751051-(4-Fluorophenyl)prop-2-yn-1-ol

Product 1

HCID 214494141-[4-(p-Fluorophenyl)-4-hydroxy-2-butynyl]-4-(2-keto-1-benzimidazolinyl)piperidine

Sources & evidence

ORD record
ord-d6666a499afb4ea980d0c9b81ceaaa51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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