Hydrochloric Acid → 1-Cyclopropylmethyl-piperidine-4-carboxylic acid 3-fluoro-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-benzylamide

HRID 1132985Notes

Reaction equation

HRID 1132985 reaction equation
[CH:25]1([CH2:28][N:29]2[CH2:30][CH2:31][CH:32]([C:35](=[O:36])[OH:37])[CH2:33][CH2:34]2)[CH2:26][CH2:27]1.[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[ClH:38].[NH2:39][CH2:40][c:41]1[cH:42][c:43]([F:64])[c:44]([C:47](=[O:48])[N:49]2[c:50]3[c:51]([cH:60][cH:61][cH:62][cH:63]3)[NH:52][c:53]3[n:54]([CH3:59])[n:55][cH:56][c:57]3[CH2:58]2)[cH:45][cH:46]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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>>[CH:25]1([CH2:28][N:29]2[CH2:30][CH2:31][CH:32]([C:35](=[O:37])[NH:39][CH2:40][c:41]3[cH:42][c:43]([F:64])[c:44]([C:47](=[O:48])[N:49]4[c:50]5[c:51]([cH:60][cH:61][cH:62][cH:63]5)[NH:52][c:53]5[n:54]([CH3:59])[n:55][cH:56][c:57]5[CH2:58]4)[cH:45][cH:46]3)[CH2:33][CH2:34]2)[CH2:26][CH2:27]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 162440151-(Cyclopropylmethyl)piperidine-4-carboxylic acidHCID 136128418[4-(Aminomethyl)-2-fluorophenyl]-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepin-5-yl)methanone

Product 1

HCID 1361284301-Cyclopropylmethyl-piperidine-4-carboxylic acid 3-fluoro-4-(3-methyl-4,10-dihydro-3H-2,3,4,9-tetraaza-benzo[f]azulene-9-carbonyl)-benzylamide

Sources & evidence

ORD record
ord-2538fc59f074459696377b0e1946f3b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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