Bromide ion → 1-{1-[4-(4-amino-3,5-dibromophenyl)-1,4-dioxobutyl]-4-piperidinyl}-1,3-dihydro-4-phenyl-2(2H)-imidazolone

HRID 2154727Notes

Reaction equation

HRID 2154727 reaction equation
[B-:35]([F:36])([F:37])([F:38])[F:39].[Br-:79].[Br:81][Br:82].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[K+:80].[NH2:1][c:2]1[c:3]([Br:16])[cH:4][c:5]([C:9]([CH2:10][CH2:11][C:12](=[O:13])[OH:14])=[O:15])[cH:6][c:7]1[Br:8].[NH:17]1[CH2:18][CH2:19][CH:20]([n:23]2[c:24](=[O:34])[nH:25][c:26](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:27]2)[CH2:21][CH2:22]1.[O:84]1[CH2:85][CH2:86][CH2:87][CH2:88]1.[OH2:83].[OH:66][C:67]([CH2:68][C:69]([C:70](=[O:71])[OH:72])([CH2:73][C:74](=[O:75])[OH:76])[OH:77])=[O:78].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH2:1][c:2]1[c:3]([Br:16])[cH:4][c:5]([C:9]([CH2:10][CH2:11][C:12](=[O:14])[N:17]2[CH2:18][CH2:19][CH:20]([n:23]3[c:24](=[O:34])[nH:25][c:26](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:27]3)[CH2:21][CH2:22]2)=[O:15])[cH:6][c:7]1[Br:8]

Participants

12

Reactant 11

HCID 259Bromide ionHCID 311Citric AcidHCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 24408BromineHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 11175554HCID 11175554, compoundHCID 113455464-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-imidazol-2-one

Product 1

HCID 98944161-{1-[4-(4-amino-3,5-dibromophenyl)-1,4-dioxobutyl]-4-piperidinyl}-1,3-dihydro-4-phenyl-2(2H)-imidazolone

Sources & evidence

ORD record
ord-55f07a24b43e4330b834a777df933fae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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