Bromide ion → HCID 17958696, compound

HRID 160797Notes

Reaction equation

HRID 160797 reaction equation
[Br-:63].[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[NH:8][C:7](=[O:12])[N:6]([CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[CH2:5]2.[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[K+:64].[Na+:38].[Na+:62].[OH-:61].[c:39]1([CH3:40])[cH:41][cH:42][cH:43][cH:44][c:45]1[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1[CH3:60]>>[c:2]1([N:30]2[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[NH:8][C:7](=[O:12])[N:6]([CH:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[CH2:5]2

Participants

10

Reactant 9

HCID 259Bromide ionHCID 813Potassium CationHCID 923Sodium ion2×HCID 961HydroxideHCID 1140TolueneHCID 531671-MethylpiperazineHCID 80271Tri-o-tolylphosphineHCID 45749132-Methylpropan-2-olateHCID 69306652HCID 69306652, compound

Product 1

HCID 17958696HCID 17958696, compound

Sources & evidence

ORD record
ord-5ec797eac7d84b3291eb89dc37ac3bef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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