Acetate → HCID 68684873, compound

HRID 289547Notes

Reaction equation

HRID 289547 reaction equation
[C:40]([O-:41])(=[O:42])[CH3:43].[C:45]([O-:46])(=[O:47])[CH3:48].[Cu+2:44].[O:1]=[S:2]1(=[O: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.[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1.[n:31]1[cH:32][n:33][cH:34][c:35]([B:37]([OH:38])[OH:39])[cH:36]1>>[O:1]=[S:2]1(=[O:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:35]3[cH:34][n:33][cH:32][n:31][cH:36]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

6

Reactant 5

HCID 175Acetate2×HCID 1049PyridineHCID 27099Cupric cationHCID 2795193(Pyrimidin-5-yl)boronic acidHCID 68681206[2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indol-5-yl]-(4-isopropyl-piperazin-1-yl)-methanone

Product 1

HCID 68684873HCID 68684873, compound

Sources & evidence

ORD record
ord-eb30b0ab321f4879aa6426aac58128e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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