Acetate → [5-(4-Cyclobutyl-piperazine-1-carbonyl)-1-(4-methanesulfonyl-phenyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

HRID 124819Notes

Reaction equation

HRID 124819 reaction equation
[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH3:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[nH:18][c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[Cl:51][CH2:52][Cl:53].[Cu+2:58].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[n:18](-[c:39]5[cH:38][cH:37][c:36]([S:33]([CH3:32])(=[O:34])=[O:35])[cH:41][cH:40]5)[c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 68683577[5-(4-Cyclobutyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68684288[5-(4-Cyclobutyl-piperazine-1-carbonyl)-1-(4-methanesulfonyl-phenyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-f08917b81dd54bf19b0beecaa5938db0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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