Acetate → HCID 57460489, compound

HRID 2347797Notes

Reaction equation

HRID 2347797 reaction equation
[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH2:68]([Cl:69])[Cl:70].[CH3:26][C:27]1([CH3:39])[O:28][c:29]2[c:30]([cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]2)[CH2:31]1.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cu+2:57].[O:1]=[c:2]1[c:3]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:4]([CH2:8][CH2:9][CH3:10])[n:5][cH:6][nH:7]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[O:1]=[c:2]1[c:3]([CH2:11][c:12]2[cH:13][cH:14][c:15](-[c:18]3[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]3)[cH:16][cH:17]2)[c:4]([CH2:8][CH2:9][CH3:10])[n:5][cH:6][n:7]1-[c:33]1[cH:32][c:30]2[c:29]([cH:35][cH:34]1)[O:28][C:27]([CH3:26])([CH3:39])[CH2:31]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 23005350(2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)boronic acidHCID 135464158HCID 135464158, compound

Product 1

HCID 57460489HCID 57460489, compound

Sources & evidence

ORD record
ord-5a96c43744284efe8c6e15885d86aae7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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