Acetate → HCID 68681037, compound

HRID 1113125Notes

Reaction equation

HRID 1113125 reaction equation
[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[Cl:50][CH2:51][Cl:52].[Cu+2:57].[F:1][C:2]1([F:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([C:19](=[O:20])[N:21]4[CH2:22][CH2:23][N:24]([CH:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1.[F:31][C:32]([c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1)([F:42])[F:43].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[F:1][C:2]1([F:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:36]3[cH:35][cH:34][c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37]3)[c:12]3[cH:13][cH:14][c:15]([C:19](=[O:20])[N:21]4[CH2:22][CH2:23][N:24]([CH:27]([CH3:28])[CH3:29])[CH2:25][CH2:26]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 68680853(4,4-Difluoro-piperidin-1-yl)-[5-(4-isopropyl-piperazine-1-carbonyl)-1H-indol-2-yl]-methanone

Product 1

HCID 68681037HCID 68681037, compound

Sources & evidence

ORD record
ord-b7b67220052940d98cc0b12b9d5c6e0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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