Hydrochloric Acid → 4-(3,3-Dimethyl-butyl)-piperazine-1-carboxylic Acid 4-(3,6-dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzylamide

HRID 174767Notes

Reaction equation

HRID 174767 reaction equation
[C:10]([n:11]1[cH:12][cH:13][n:14][cH:15]1)([n:16]1[cH:17][cH:18][n:19][cH:20]1)=[O:21].[C:50]([CH3:52])([CH3:53])([O:54][C:55](=[O:51])[N:57]1[CH2:58][CH2:59][N:60]([CH2:63][CH2:64][C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:61][CH2:62]1)[CH3:56].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:22].[NH2:23][CH2:24][c:25]1[c:26]([F:49])[cH:27][c:28]([C:31](=[O:32])[N:33]2[c:34]3[c:35]([cH:44][c:45]([CH3:48])[cH:46][cH:47]3)[NH:36][c:37]3[n:38]([CH3:43])[n:39][cH:40][c:41]3[CH2:42]2)[cH:29][cH:30]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73]>>[NH:23]([CH2:24][c:25]1[c:26]([F:49])[cH:27][c:28]([C:31](=[O:32])[N:33]2[c:34]3[c:35]([cH:44][c:45]([CH3:48])[cH:46][cH:47]3)[NH:36][c:37]3[n:38]([CH3:43])[n:39][cH:40][c:41]3[CH2:42]2)[cH:29][cH:30]1)[C:55](=[O:54])[N:57]1[CH2:58][CH2:59][N:60]([CH2:63][CH2:64][C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:61][CH2:62]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 81531DiisopropylethylamineHCID 589749064-(3,3-Dimethyl-butyl)-piperazine-1-carboxylic Acid tert-butyl EsterHCID 135736010[4-(Aminomethyl)-3-fluorophenyl]-(1,8-dimethyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 1361283614-(3,3-Dimethyl-butyl)-piperazine-1-carboxylic Acid 4-(3,6-dimethyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-2-fluoro-benzylamide

Sources & evidence

ORD record
ord-f408aba463c44fcb8bccd574ba26aaa6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…