Ammonium → Tert-butyl 4-[(1-hydroxycyclohexyl)[4-hydroxy-3-(trifluoromethoxy)phenyl]acetyl}piperazine-1-carboxylate

HRID 1553455Notes

Reaction equation

HRID 1553455 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:38][C:39]([F:40])([F:41])[F:42])[cH:11][c:12]([CH:15]([C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]2)[C:31]2([OH:37])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:13][cH:14]1.[CH3:47][OH:48].[CH:43]([O-:44])=[O:45].[NH4+:46]>>[OH:8][c:9]1[c:10]([O:38][C:39]([F:40])([F:41])[F:42])[cH:11][c:12]([CH:15]([C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22][CH2:23]2)[C:31]2([OH:37])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 223AmmoniumHCID 283FormateHCID 887MethanolHCID 68852993tert-Butyl 4-[[4-(benzyloxy)-3-(trifluoromethoxy)phenyl](1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylate

Product 1

HCID 68855865Tert-butyl 4-[(1-hydroxycyclohexyl)[4-hydroxy-3-(trifluoromethoxy)phenyl]acetyl}piperazine-1-carboxylate

Sources & evidence

ORD record
ord-597fd0a513db4e48a526e87955eb04e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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