Hydrogen Bromide → HCID 14727008, compound

HRID 676073Notes

Reaction equation

HRID 676073 reaction equation
[BrH:1].[CH2:51]([Cl:52])[Cl:53].[CH3:54][C:55]([CH2:56][CH:57]([CH3:58])[CH3:59])=[O:60].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[Cl:2][CH2:3][CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]([NH:16][CH3:17])[s:14][cH:15]2)[cH:9][cH:10]1.[I-:50].[Na+:43].[Na+:44].[Na+:49].[O-:45][C:46](=[O:47])[O-:48].[c:18]1([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:19][cH:20][cH:21][c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12>>[CH2:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]([NH:16][CH3:17])[s:14][cH:15]2)[cH:9][cH:10]1)[N:31]1[CH2:30][CH2:29][N:28]([c:18]2[cH:19][cH:20][cH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]23)[CH2:33][CH2:32]1

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 923Sodium ion3×HCID 13421-(1-Naphthyl)piperazineHCID 6344DichloromethaneHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 14726986HCID 14726986, compound

Product 1

HCID 14727008HCID 14727008, compound

Sources & evidence

ORD record
ord-aafff2224cc1430fa8714f456610d938
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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