Hydrochloric Acid → 2-Fluoro-5-[[4-(1H-imidazol-1-yl)phenyl]methyl]-5,6,7,8,9,10-hexahydrocyclohept[b]indole-7-acetic acid

HRID 2162209

Reaction equation

HRID 2162209 reaction equation
[Cl:23][CH2:24][c:25]1[cH:26][cH:27][c:28](-[n:31]2[cH:32][n:33][cH:34][cH:35]2)[cH:29][cH:30]1.[ClH:22].[F:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([nH:7][c:8]2[cH:9][cH:10]1)[CH2:11][CH:12]([CH2:16][C:17](=[O:18])[OH:19])[CH2:13][CH2:14][CH2:15]3.[H-:21].[Na+:20].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[F:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH2:24][c:25]4[cH:26][cH:27][c:28](-[n:31]5[cH:32][n:33][cH:34][cH:35]5)[cH:29][cH:30]4)[c:8]2[cH:9][cH:10]1)[CH2:11][CH:12]([CH2:16][C:17](=[O:18])[OH:19])[CH2:13][CH2:14][CH2:15]3

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 70638591-(4-(Chloromethyl)phenyl)-1H-imidazoleHCID 197416342-Fluoro-5,6,7,8,9,10-hexahydrocyclohept[b]indole-7-acetic acid

Product 1

HCID 99317812-Fluoro-5-[[4-(1H-imidazol-1-yl)phenyl]methyl]-5,6,7,8,9,10-hexahydrocyclohept[b]indole-7-acetic acid

Sources & evidence

ORD record
ord-3f97154c82d24cc48c2815d24ba3080d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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