Dimethylformamide → 1-(3,3-Dimethyl-butyl)-piperidine-4-carboxylic Acid 4-(1-benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulene-6-carbonyl)-2-methyl-benzylamide

HRID 1239549Notes

Reaction equation

HRID 1239549 reaction equation
[CH3:25][C:26]([CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][CH:32]([C:35](=[O:36])[OH:37])[CH2:33][CH2:34]1)([CH3:38])[CH3:39].[CH:73]([N:74]([CH2:75][CH3:76])[CH:77]([CH3:78])[CH3:79])([CH3:80])[CH3:81].[NH2:40][CH2:41][c:42]1[c:43]([CH3:72])[cH:44][c:45]([C:48](=[O:49])[N:50]2[c:51]3[c:52]([cH:68][cH:69][cH:70][cH:71]3)-[c:53]3[n:54]([CH2:61][c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[c:55]([CH3:60])[n:56][c:57]3[CH2:58][CH2:59]2)[cH:46][cH:47]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:25][C:26]([CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][CH:32]([C:35](=[O:37])[NH:40][CH2:41][c:42]2[c:43]([CH3:72])[cH:44][c:45]([C:48](=[O:49])[N:50]3[c:51]4[c:52]([cH:68][cH:69][cH:70][cH:71]4)-[c:53]4[n:54]([CH2:61][c:62]5[cH:63][cH:64][cH:65][cH:66][cH:67]5)[c:55]([CH3:60])[n:56][c:57]4[CH2:58][CH2:59]3)[cH:46][cH:47]2)[CH2:33][CH2:34]1)([CH3:38])[CH3:39]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 231123781-(3,3-Dimethylbutyl)piperidine-4-carboxylic acidHCID 57555234(4-Aminomethyl-3-methyl-phenyl)-(1-benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulen-6-yl)-methanone

Product 1

HCID 575552261-(3,3-Dimethyl-butyl)-piperidine-4-carboxylic Acid 4-(1-benzyl-2-methyl-4,5-dihydro-1H-1,3,6-triaza-benzo[e]azulene-6-carbonyl)-2-methyl-benzylamide

Sources & evidence

ORD record
ord-6f4f3121524543f6b5af3ffb69041b71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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