Ethanol → (1-{4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-ylmethyl}piperidin-4-yl)-methanol

HRID 698136Notes

Reaction equation

HRID 698136 reaction equation
[CH3:32][CH:33]([CH3:34])[O-:35].[CH3:37][CH:38]([CH3:39])[O-:40].[CH3:41][CH:42]([CH3:43])[O-:44].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH2:50][OH:51].[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH:22]=[O:23])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH:24]1[CH2:25][CH2:26][CH:27]([CH2:30][OH:31])[CH2:28][CH2:29]1.[Ti+4:36]>>[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH2:22][N:24]4[CH2:25][CH2:26][CH:27]([CH2:30][OH:31])[CH2:28][CH2:29]4)[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 702EthanolHCID 114942Titanium cation (4+)HCID 4207714-PiperidinemethanolHCID 3260420Isopropanolate4×HCID 598374274-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-carbaldehyde

Product 1

HCID 59837373(1-{4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-ylmethyl}piperidin-4-yl)-methanol

Sources & evidence

ORD record
ord-534291be58f64657a406cdfd64800d4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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