Hydroxide → 8-Propyl-3-(3,4,5-trifluorophenyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

HRID 143096Notes

Reaction equation

HRID 143096 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]3[c:12]([c:13](=[O:17])[o:14][c:15]2[cH:16]1)[CH2:18][CH:19]([CH2:22][CH2:23][CH3:24])[CH2:20][CH2:21]3)(=[O:25])=[O:26].[F:27][c:28]1[cH:29][c:30]([B:36]([OH:37])[OH:38])[cH:31][c:32]([F:35])[c:33]1[F:34].[NH3+:40][NH2:41].[OH-:39].[OH2:42]>>[c:7]1(-[c:30]2[cH:29][c:28]([F:27])[c:33]([F:34])[c:32]([F:35])[cH:31]2)[cH:8][cH:9][c:10]2[c:11]3[c:12]([c:13](=[O:17])[o:14][c:15]2[cH:16]1)[CH2:18][CH:19]([CH2:22][CH2:23][CH3:24])[CH2:20][CH2:21]3

Participants

7

Reactant 6

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 87681Hydrazinium(1+)HCID 2734671(3,4,5-Trifluorophenyl)boronic Acid (contains varying amounts of Anhydride)HCID 579011976-oxo-8-propyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl trifluoromethanesulfonate

Product 1

HCID 166567888-Propyl-3-(3,4,5-trifluorophenyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Sources & evidence

ORD record
ord-bb791f200aef4c1ab176236807bb1d7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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