Sodium ion → 5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-9-fluoro-5H-6-oxa-chrysen-2-ol

HRID 119532Notes

Reaction equation

HRID 119532 reaction equation
[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:17]([c:18]3[c:19]4[cH:20][cH:21][c:22]([OH:36])[cH:23][c:24]4[cH:25][cH:26][c:27]3-[c:28]3[c:29]([F:35])[cH:30][cH:31][c:32]([F:34])[cH:33]3)[OH:37])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Na+:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([CH:17]3[c:18]4[c:19]5[cH:20][cH:21][c:22]([OH:36])[cH:23][c:24]5[cH:25][cH:26][c:27]4-[c:28]4[c:29]([cH:30][cH:31][c:32]([F:34])[cH:33]4)[O:37]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 45749132-Methylpropan-2-olateHCID 670045865-{[4-(2-Azepan-1-yl-ethoxy)-phenyl]-hydroxymethyl}-6-(2,5-difluorophenyl)-naphthalen-2-ol

Product 1

HCID 575525185-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-9-fluoro-5H-6-oxa-chrysen-2-ol

Sources & evidence

ORD record
ord-2a724338e0e241e6889f214f87e98d45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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