Hydrochloric Acid → {5-[3-(4-Trifluoromethyl-piperidin-1-yl)-propyl]-tricyclo [8.2.1.03,8]trideca-3(8),4,6-trien-13-yl}-carbamic Acid Tert-Butyl Ester

HRID 294243

Reaction equation

HRID 294243 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]2[CH2:10][c:11]3[cH:12][c:13]([CH2:21][CH2:22][CH:23]=[O:24])[cH:14][cH:15][c:16]3[CH2:17][CH:18]1[CH2:19][CH2:20]2)=[O:25].[C:37]([BH3-:38])#[N:39].[CH3:41][OH:42].[ClH:26].[F:27][C:28]([CH:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1)([F:35])[F:36].[Na+:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]2[CH2:10][c:11]3[cH:12][c:13]([CH2:21][CH2:22][CH2:23][N:32]4[CH2:31][CH2:30][CH:29]([C:28]([F:27])([F:35])[F:36])[CH2:34][CH2:33]4)[cH:14][cH:15][c:16]3[CH2:17][CH:18]1[CH2:19][CH2:20]2)=[O:25]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 1364694-(Trifluoromethyl)piperidineHCID 498716Cyano-borohydrideHCID 86591377[5-(3-Oxo-propyl)-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-yl]-carbamic acid tert-butyl ester

Product 1

HCID 86591376{5-[3-(4-Trifluoromethyl-piperidin-1-yl)-propyl]-tricyclo [8.2.1.03,8]trideca-3(8),4,6-trien-13-yl}-carbamic Acid Tert-Butyl Ester

Sources & evidence

ORD record
ord-bcc3f52f331245388925c7d9b5449adb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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