1,2-Difluorobenzene → HCID 11191016, compound

HRID 2340566Notes

Reaction equation

HRID 2340566 reaction equation
[BH:37]([OH:38])[OH:39].[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[c:9]([O:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)[c:10]2[cH:11][cH:12]1.[CH:50]1([P:51]([CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[Cs+:49].[F-:48].[F:40][c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[F:47]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8](-[c:42]3[c:41]([F:40])[c:46]([F:47])[cH:45][cH:44][cH:43]3)[c:9]([O:13][c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:18][cH:19]3)[c:10]2[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 97061,2-DifluorobenzeneHCID 28179Fluoride IonHCID 61668Boronic AcidHCID 75806TricyclohexylphosphineHCID 104967Cesium cationHCID 116133766-Methoxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenoxy)naphthalen-2-yl trifluoromethanesulfonate

Product 1

HCID 11191016HCID 11191016, compound

Sources & evidence

ORD record
ord-366b515cf8ea4d909e796d85732eaa46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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