Dichloromethane → 2-(4-((1,4-Diazepan-1-yl)methyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

HRID 202433Notes

Reaction equation

HRID 202433 reaction equation
[Cl:39][CH2:40][Cl:41].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:18][CH2:19][CH2:20]2)[cH:28][cH:29]1)([F:30])[F:31].[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19][CH2:20]2)[cH:28][cH:29]1)([F:30])[F:31]

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86638560tert-Butyl 4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl)-1,4-diazepane-1-carboxylate

Product 1

HCID 866385612-(4-((1,4-Diazepan-1-yl)methyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Sources & evidence

ORD record
ord-6b922ffe9cbe40398e1489f1aaa5f128
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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