Dichloromethane → 1-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-[2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butan-1-one

HRID 1216423Notes

Reaction equation

HRID 1216423 reaction equation
[C:56]([O:57][C:58](=[O:59])[N:63]1[CH2:64][CH2:65][N:66]([CH2:69][CH2:70][C:71]([CH3:72])([CH3:73])[CH3:74])[CH2:67][CH2:68]1)([CH3:60])([CH3:61])[CH3:62].[CH3:25][c:26]1[c:27]([O:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[OH:34])[cH:35][cH:36][c:37]([C:39](=[O:40])[N:41]2[c:42]3[c:43]([cH:52][cH:53][cH:54][cH:55]3)[NH:44][c:45]3[n:46]([CH3:51])[n:47][cH:48][c:49]3[CH2:50]2)[cH:38]1.[CH:75]([N:76]([CH2:77][CH3:78])[CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[Cl:84][CH2:85][Cl: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]1[c:27]([O:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[N:63]2[CH2:64][CH2:65][N:66]([CH2:69][CH2:70][C:71]([CH3:72])([CH3:73])[CH3:74])[CH2:67][CH2:68]2)[cH:35][cH:36][c:37]([C:39](=[O:40])[N:41]2[c:42]3[c:43]([cH:52][cH:53][cH:54][cH:55]3)[NH:44][c:45]3[n:46]([CH3:51])[n:47][cH:48][c:49]3[CH2:50]2)[cH:38]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 589749064-(3,3-Dimethyl-butyl)-piperazine-1-carboxylic Acid tert-butyl EsterHCID 1361284054-[2-Methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butyric Acid

Product 1

HCID 1361284431-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-[2-methyl-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-phenoxy]-butan-1-one

Sources & evidence

ORD record
ord-7857c2fbd476408d8801241c29cad0c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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