Acetate → [5-([1,4]Bipiperidinyl-1'-carbonyl)-1-(6-chloro-pyridin-3-yl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

HRID 1221082Notes

Reaction equation

HRID 1221082 reaction equation
[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[Cl:34][c:35]1[n:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[Cl:50][CH2:51][Cl:52].[Cu+2:57].[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[c:15]3[cH:16][c:17]4[cH:18][c:19]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][C:29]([F:32])([F:33])[CH2:30][CH2:31]5)[nH:20][c:21]4[cH:22][cH:23]3)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[N:1]1([CH:7]2[CH2:8][CH2:9][N:10]([C:13](=[O:14])[c:15]3[cH:16][c:17]4[cH:18][c:19]([C:24](=[O:25])[N:26]5[CH2:27][CH2:28][C:29]([F:32])([F:33])[CH2:30][CH2:31]5)[n:20](-[c:38]5[cH:37][n:36][c:35]([Cl:34])[cH:40][cH:39]5)[c:21]4[cH:22][cH:23]3)[CH2:11][CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 38450342-Chloropyridine-5-boronic acidHCID 68681611[5-([1,4']bipiperidinyl-1'-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 86615811[5-([1,4]Bipiperidinyl-1'-carbonyl)-1-(6-chloro-pyridin-3-yl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-4ad8052a8aa745bb982d254f7e60076a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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