Acetate → HCID 68683596, compound

HRID 2162724Notes

Reaction equation

HRID 2162724 reaction equation
[C:33](#[N:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[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][C:28]([F:31])([F: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:50][CH2:51][Cl:52].[Cu+2:57].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]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][C:28]([F:31])([F:32])[CH2:29][CH2:30]5)[n:19](-[c:38]5[cH:37][cH:36][c:35]([C:33]#[N:34])[cH:40][cH:39]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 27343264-Cyanophenylboronic acidHCID 68681312[5-(4-Cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68683596HCID 68683596, compound

Sources & evidence

ORD record
ord-b089e2e2d6144c4eb84db5e35f8bfef0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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