Dimethylformamide → 1-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-3-[4-(3,4-dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-methyl-phenyl]-propan-1-one

HRID 1224843Notes

Reaction equation

HRID 1224843 reaction equation
[C:37]([O:38][C:39](=[O:40])[N:44]1[CH2:45][CH2:46][N:47]([CH2:50][CH2:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:48][CH2:49]1)([CH3:41])([CH3:42])[CH3:43].[CH3:7][n:8]1[n:9][cH:10][c:11]2[c:17]1[N:16]([CH3:18])[c:15]1[c:14]([cH:22][cH:21][cH:20][cH:19]1)[N:13]([C:23](=[O:24])[c:25]1[cH:26][c:27]([CH3:36])[c:28]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:29][cH:30]1)[CH2:12]2.[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:65][CH2:66][Cl:67].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[CH3:7][n:8]1[n:9][cH:10][c:11]2[c:17]1[N:16]([CH3:18])[c:15]1[c:14]([cH:22][cH:21][cH:20][cH:19]1)[N:13]([C:23](=[O:24])[c:25]1[cH:26][c:27]([CH3:36])[c:28]([CH2:31][CH2:32][C:33](=[O:35])[N:44]3[CH2:45][CH2:46][N:47]([CH2:50][CH2:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:48][CH2:49]3)[cH:29][cH:30]1)[CH2:12]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 575553673-[4-(3,4-Dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-methyl-phenyl]-propionic AcidHCID 589749064-(3,3-Dimethyl-butyl)-piperazine-1-carboxylic Acid tert-butyl Ester

Product 1

HCID 575553321-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-3-[4-(3,4-dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-methyl-phenyl]-propan-1-one

Sources & evidence

ORD record
ord-5ef967e801dc4246b9a13a235eb62acc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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