Acetate → HCID 68681899, compound

HRID 2328082Notes

Reaction equation

HRID 2328082 reaction equation
[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[Cu+2:48].[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:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1>>[O:1]=[S:2]1(=[O:30])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[n:11](-[c:38]3[cH:37][cH:36][c:35]([S:32]([CH3:31])(=[O:33])=[O:34])[cH:40][cH:39]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 27343644-(Methanesulfonyl)phenylboronic acidHCID 68681206[2-(1,1-Dioxo-thiomorpholine-4-carbonyl)-1H-indol-5-yl]-(4-isopropyl-piperazin-1-yl)-methanone

Product 1

HCID 68681899HCID 68681899, compound

Sources & evidence

ORD record
ord-72964e962634444c970773002c7d5c65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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