Acetate → [1-(3,5-Difluoro-phenyl)-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

HRID 173871Notes

Reaction equation

HRID 173871 reaction equation
[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[Cl:47][CH2:48][Cl:49].[Cu+2:54].[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1.[F:30][c:31]1[cH:32][c:33]([B:38]([OH:39])[OH:40])[cH:34][c:35]([F:37])[cH:36]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:33]3[cH:32][c:31]([F:30])[cH:36][c:35]([F:37])[cH:34]3)[c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 2734338(3,5-Difluorophenyl)boronic acidHCID 11603838(4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]methanone

Product 1

HCID 16739413[1-(3,5-Difluoro-phenyl)-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-df3fa303aacd4b15b768dafeb47f2f2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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