Acetate → [5-(4-Cyclopentyl-piperazine-1-carbonyl)-1-(4-fluoro-phenyl)-1H-indol-2-yl]-(1,1-dioxo-thiomorpholin-4-yl)-methanone

HRID 181248Notes

Reaction equation

HRID 181248 reaction equation
[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:24])[N:25]5[CH2:26][CH2:27][S:28](=[O:31])(=[O:32])[CH2:29][CH2:30]5)[nH:19][c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:49][CH2:50][Cl:51].[Cu+2:56].[OH:33][B:34]([OH:35])[c:36]1[cH:37][cH:38][c:39]([F:40])[cH:41][cH:42]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12](=[O:13])[c:14]3[cH:15][c:16]4[cH:17][c:18]([C:23](=[O:24])[N:25]5[CH2:26][CH2:27][S:28](=[O:31])(=[O:32])[CH2:29][CH2:30]5)[n:19](-[c:36]5[cH:37][cH:38][c:39]([F:40])[cH:41][cH:42]5)[c:20]4[cH:21][cH:22]3)[CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 2856454-Fluorophenylboronic acidHCID 68680722[5-(4-Cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(1,1-dioxo-thiomorpholin-4-yl)-methanone

Product 1

HCID 68682326[5-(4-Cyclopentyl-piperazine-1-carbonyl)-1-(4-fluoro-phenyl)-1H-indol-2-yl]-(1,1-dioxo-thiomorpholin-4-yl)-methanone

Sources & evidence

ORD record
ord-c652a8763e51447abee71583f4ebcafc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…