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

HRID 196477Notes

Reaction equation

HRID 196477 reaction equation
[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[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:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[Cl:48][CH2:49][Cl:50].[Cu+2:55].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]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:36]5[cH:35][cH:34][c:33]([Cl:32])[cH:38][cH:37]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 742994-Chlorophenylboronic acidHCID 68683577[5-(4-Cyclobutyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68680706[1-(4-Chloro-phenyl)-5-(4-cyclobutyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-c334fa08f16240eabdb07431d49adb50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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