Acetate → HCID 68680770, compound

HRID 157388Notes

Reaction equation

HRID 157388 reaction equation
[C:55]([O-:56])(=[O:57])[CH3:58].[C:60]([O-:61])(=[O:62])[CH3:63].[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:52][CH2:53][Cl:54].[Cu+2:59].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1)([F:44])[F:45].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]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:34]([F:33])([F:44])[F:45])[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 27343894-(Trifluoromethyl)phenylboronic acidHCID 68681312[5-(4-Cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68680770HCID 68680770, compound

Sources & evidence

ORD record
ord-01196995ce464e72861a385e314c3821
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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