Acetate → HCID 68682909, compound

HRID 2328553Notes

Reaction equation

HRID 2328553 reaction equation
[C:52]([O-:53])(=[O:54])[CH3:55].[C:57]([O-:58])(=[O:59])[CH3:60].[CH3:32][O:33][c:34]1[n:35][cH:36][c:37]([B:40]([OH:41])[OH:42])[cH:38][n:39]1.[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[nH:18][c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[Cl:49][CH2:50][Cl:51].[Cu+2:56].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:11](=[O:12])[c:13]3[cH:14][c:15]4[cH:16][c:17]([C:22](=[O:23])[N:24]5[CH2:25][CH2:26][C:27]([F:30])([F:31])[CH2:28][CH2:29]5)[n:18](-[c:37]5[cH:36][n:35][c:34]([O:33][CH3:32])[n:39][cH:38]5)[c:19]4[cH:20][cH:21]3)[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 27367782-Methoxypyrimidine-5-boronic acidHCID 68683577[5-(4-Cyclobutyl-piperazine-1-carbonyl)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Product 1

HCID 68682909HCID 68682909, compound

Sources & evidence

ORD record
ord-6c41a7073da0474eac69b1fe622cc58c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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