Hydrochloric Acid → trans-4-tert-Butoxy-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide

HRID 184419Notes

Reaction equation

HRID 184419 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][c:33]1[cH:34][cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]1.[ClH:1].[ClH:2].[ClH:3].[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21>>[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH:27][C:37]([c:36]5[cH:35][cH:34][c:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:41][cH:40]5)=[O:38])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21

Participants

4

Reactant 3

HCID 313Hydrochloric Acid3×HCID 5353024-tert-Butoxybenzoic AcidHCID 585673424-[2-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

Product 1

HCID 67125776trans-4-tert-Butoxy-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide

Sources & evidence

ORD record
ord-555bb19c2ed148639ea926c82335ef03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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