Water → 4-[2-[1-[5-(Pyrrolidin-2-ylmethoxy)-3-pyridinyl]piperidin-4-yl]ethoxy]phenol

HRID 690940Notes

Reaction equation

[Cl:44][CH2:45][Cl:46].[OH2:47].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[OH:8][c:9]1[cH:10][cH:11][c:12]([O:13][CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18][N:19]([c:22]3[cH:23][n:24][cH:25][c:26]([O:28][CH2:29][CH:30]4[N:31]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:32][CH2:33][CH2:34]4)[cH:27]3)[CH2:20][CH2:21]2)[cH:42][cH:43]1>>[OH:8][c:9]1[cH:10][cH:11][c:12]([O:13][CH2:14][CH2:15][CH:16]2[CH2:17][CH2:18][N:19]([c:22]3[cH:23][n:24][cH:25][c:26]([O:28][CH2:29][CH:30]4[NH:31][CH2:32][CH2:33][CH2:34]4)[cH:27]3)[CH2:20][CH2:21]2)[cH:42][cH:43]1

Participants

Reactant 4

HCID 962Water

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 72273100Tert-butyl 2-[[5-[4-[2-(4-hydroxyphenoxy)ethyl]piperidin-1-yl]-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate

Product 1

HCID 722730664-[2-[1-[5-(Pyrrolidin-2-ylmethoxy)-3-pyridinyl]piperidin-4-yl]ethoxy]phenol

Sources & evidence

ORD record: ord-6750deb3bb7c422db5f4ae7943f1d85f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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