Hydrochloric Acid → 4-Benzotriazol-1-yl-piperidine-1-carboxylic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester

HRID 99311

Reaction equation

HRID 99311 reaction equation
[CH:38]([NH:39][CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:9][cH:10]1.[ClH:37].[NH:22]1[CH2:23][CH2:24][CH:25]([n:28]2[n:29][n:30][c:31]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[CH2:26][CH2:27]1>>[C:2](=[O:3])([O:4][c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[n:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:9][cH:10]1)[N:22]1[CH2:23][CH2:24][CH:25]([n:28]2[n:29][n:30][c:31]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)[CH2:26][CH2:27]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 7912DiisopropylamineHCID 27354641-(piperidin-4-yl)-1H-1,2,3-benzotriazoleHCID 220477624-(5-Trifluoromethylpyridin-2-yloxy)-phenyl chloroformate

Product 1

HCID 695204074-Benzotriazol-1-yl-piperidine-1-carboxylic Acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl Ester

Sources & evidence

ORD record
ord-bf1f4fb4800b47e2a33c2199afb4f6d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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