Bromide ion → HCID 67464548, compound

HRID 1547469Notes

Reaction equation

HRID 1547469 reaction equation
[Br-:1].[CH-:51]([C:52](=[O:53])[CH3:54])[C:55](=[O:56])[CH3:57].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH2:6]([CH3:7])[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([C:17]([CH:18]([CH2:19][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[NH:28][C:29](=[O:30])[c:31]2[n:32][c:33](-[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[n:34][c:35]([Cl:37])[cH:36]2)=[O:44])[CH2:15][CH2:16]1.[CH:2]([CH3:3])([CH3:4])[Mg+:5].[Fe+3:50]>>[CH:2]([CH3:3])([CH3:4])[c:35]1[n:34][c:33](-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[n:32][c:31]([C:29]([NH:28][CH:18]([C:17]([N:14]2[CH2:13][CH2:12][N:11]([C:9]([O:8][CH2:6][CH3:7])=[O:10])[CH2:16][CH2:15]2)=[O:44])[CH2:19][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[cH:36]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 29936Ferric cationHCID 87402957Ethyl 4-[2-[(6-chloro-2-phenylpyrimidine-4-carbonyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylateHCID 178461726HCID 178461726, compoundHCID 178468203HCID 178468203, compound

Product 1

HCID 67464548HCID 67464548, compound

Sources & evidence

ORD record
ord-c122819ccdd3415b8ba4e817eef4dd9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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