Ammonia → 2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl(3H-benzimidazol-5-yl)methanone

HRID 101810Notes

Reaction equation

HRID 101810 reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH2:68]1[CH2:69][CH2:70][NH:71][CH:72]2[CH2:73][CH2:74][c:75]3[c:76]([cH:78][cH:79][cH:80][cH:81]3)[CH:77]12.[CH3:83][N:84]([CH3:85])[CH:86]=[O:87].[CH3:88][OH:89].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[NH3:82].[P-:23]([F:24])([F:25])([F:26])([F:27])([F:28])[F:29].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[n:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1.[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1.[nH:47]1[cH:48][n:49][c:50]2[c:51]1[cH:52][cH:53][c:54]([C:56](=[O:57])[OH:58])[cH:55]2>>[nH:47]1[cH:48][n:49][c:50]2[c:51]1[cH:52][cH:53][c:54]([C:56](=[O:58])[N:71]1[CH2:70][CH2:69][CH2:68][CH:77]3[CH:72]1[CH2:73][CH2:74][c:75]1[c:76]3[cH:78][cH:79][cH:80][cH:81]1)[cH:55]2

Participants

12

Reactant 11

HCID 222AmmoniaHCID 887MethanolHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 123270201,2,3,4,4a,5,6,10b-Octahydrobenzo(f)quinolineHCID 178524171HCID 178524171, compound

Product 1

HCID 1785193462,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl(3H-benzimidazol-5-yl)methanone

Sources & evidence

ORD record
ord-3b09e37f71c74184bdd39dd50ec4d208
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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