Acetic Acid → 1-(4-fluorophenyl)-5-(2-methyl-5-tetrazolyl)-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole

HRID 156295Notes

Reaction equation

HRID 156295 reaction equation
[CH3:38][C:39](=[O:40])[OH:41].[ClH:8].[F:16][c:17]1[cH:18][cH:19][c:20](-[n:23]2[cH:24][cH:25][c:26]3[cH:27][c:28](-[c:32]4[n:33][n:34][n:35]([CH3:37])[n:36]4)[cH:29][cH:30][c:31]23)[cH:21][cH:22]1.[NH:1]1[CH2:2][CH2:3][C:4](=[O:7])[CH2:5][CH2:6]1.[OH2:42].[OH:9][C:10]([C:11]([F:12])([F:13])[F:14])=[O:15]>>[NH:1]1[CH2:2][CH2:3][C:4]([c:25]2[cH:24][n:23](-[c:20]3[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]3)[c:31]3[c:26]2[cH:27][c:28](-[c:32]2[n:33][n:34][n:35]([CH3:37])[n:36]2)[cH:29][cH:30]3)=[CH:5][CH2:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 6422Trifluoroacetic acidHCID 337214-PiperidoneHCID 181771991-(4-Fluorophenyl)-5-(2-methyltetrazol-5-yl)-1H-indole

Product 1

HCID 181772261-(4-fluorophenyl)-5-(2-methyl-5-tetrazolyl)-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole

Sources & evidence

ORD record
ord-0591d8a113284469b9d65ecb5cf3f0de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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